compound 15 [PMID: 22017539] [Ligand Id: 8636] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1939876 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| protein kinase AMP-activated catalytic subunit alpha 1/5`-AMP-activated protein kinase catalytic subunit alpha-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4045] [GtoPdb: 1541] [UniProtKB: Q13131] | ||||||||
| ChEMBL | Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a PRKAA1 | B | 5.72 | pIC50 | 1900 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP2/72 kDa type IV collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP2 after 30 mins by fluorimetry | B | 4.74 | pIC50 | 18000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP2 | B | 4.74 | pIC50 | 18000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP2 | B | 4.74 | pIC50 | >18000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| aurora kinase A/Aurora kinase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a STK6 | B | 5.89 | pIC50 | 1300 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| protein kinase, cAMP-dependent, catalytic, alpha subunit/cAMP-dependent protein kinase catalytic subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4101] [GtoPdb: 1476] [UniProtKB: P17612] | ||||||||
| ChEMBL | Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a PRKACA | B | 5.8 | pIC50 | 1600 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP13/Collagenase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452] | ||||||||
| ChEMBL | Bovine nasal cartilage (BNC) degradation assay | B | 7.51 | pIC50 | 31 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Inhibition of human MMP13-mediated degradation of bovine nasal cartilage after 2 hrs by ELISA in the presence of 10% human serum | B | 7.51 | pIC50 | 31 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Affinity Phenotypic Cellular interaction (ELISA (bovine nasal cartilage (BNC) degradation assay, inhibition of full-length MMP-13-induced cartilage degradation)) EUB0000730a MMP13 | B | 7.51 | pIC50 | 31 | nM | IC50 | Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomics Library wave 3 |
| ChEMBL | Bovine nasal cartilage (BNC) degradation assay | B | 7.51 | pIC50 | 31 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | MMP13 collagen degradation assay | B | 7.96 | pIC50 | 11 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Inhibition of AMPA-activated MMP13-mediated degradation of FITC-labeled type2 collagen after 1.5 hrs by fluorimetry | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay, + 1.25 % HSA)) EUB0000730a MMP13 | B | 8.4 | pIC50 | 4 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| ChEMBL | Inhibition of MMP13 after 30 mins by fluorimetry in the presence of 1.25% human serum albumin | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| GtoPdb | - | - | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2011) 54: 8174-87 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP13 | B | 9 | pIC50 | 1 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Affinity Biochemical interaction (FRET assay) EUB0000730a MMP13 | B | 9 | pIC50 | 1 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomics Library wave 3 |
| ChEMBL | Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| MMP13/Collagenase 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3638350] [GtoPdb: 1637] [UniProtKB: P33435] | ||||||||
| ChEMBL | Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format. | B | 9.1 | pIC50 | 0.8 | nM | IC50 | US-8785489-B2. Heteroaryl substituted indole compounds useful as MMP-13 inhibitors (2014) |
| D5 receptor/D(1B) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1850] [GtoPdb: 218] [UniProtKB: P21918] | ||||||||
| ChEMBL | GPCRScan assay: inhibition of D5 | B | 5 | pKi | 10000 | nM | Ki | Data for DCP probe BI-4394 |
| ChEMBL | GPCRScan assay: inhibition of D5 | B | 5 | pKi | 10000 | nM | Ki | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000730a DRD5 | B | 5 | pKi | >10000 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP1/Interstitial collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP1 after 30 mins by fluorimetry | B | 4.66 | pIC50 | >22000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) (MMP1) | B | 4.66 | pIC50 | >22000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP1 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP12/Macrophage metalloelastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP12 after 30 mins by fluorimetry | B | 4.66 | pIC50 | >22000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP12 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP12 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MAPK activated protein kinase 2/MAP kinase-activated protein kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2208] [GtoPdb: 2094] [UniProtKB: P49137] | ||||||||
| ChEMBL | Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a MAPKAPK2 | B | 5.96 | pIC50 | 1100 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP7/Matrilysin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4073] [GtoPdb: 1631] [UniProtKB: P09237] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP7 after 30 mins by fluorimetry | B | 4.66 | pIC50 | >22000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP7 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP7 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP14/Matrix metalloproteinase-14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP14 after 60 mins by fluorimetry | B | 5.08 | pIC50 | 8300 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP14 | B | 5.08 | pIC50 | 8300 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP14 | B | 5.08 | pIC50 | 8300 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP9/Matrix metalloproteinase-9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP9 after 30 mins by fluorimetry | B | 5.05 | pIC50 | 8900 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP9 | B | 5.05 | pIC50 | 8900 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP9 | B | 5.05 | pIC50 | 8900 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP8/Neutrophil collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4588] [GtoPdb: 1632] [UniProtKB: P22894] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP8 after 30 mins by fluorimetry | B | 4.66 | pIC50 | >22000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP8 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP8 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP3/Stromelysin-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP3 after 30 mins by fluorimetry | B | 4.66 | pIC50 | >22000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP3 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP3 | B | 4.66 | pIC50 | >22000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
| MMP10/Stromelysin-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4270] [GtoPdb: 1634] [UniProtKB: P09238] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP10 after 30 mins by fluorimetry | B | 4.8 | pIC50 | 16000 | nM | IC50 | J Med Chem (2011) 54: 8174-8187 [PMID:22017539] |
| ChEMBL | Biochemical assay (FRET) with MMP10 | B | 4.8 | pIC50 | 16000 | nM | IC50 | Data for DCP probe BI-4394 |
| ChEMBL | Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP10 | B | 4.8 | pIC50 | 16000 | nM | IC50 | Selectivity Literature for EUbOPEN Chemogenomics Library wave 3 |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
