BDBM4531 4-Phenylamino-3-quinolinecarbonitrile deriv. 1i::4-[(4-Chloro-5-methoxy-2-methylphenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile::4-[(4-chloro-5-methoxy-2-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile::CHEMBL127331
SMILES: COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl
InChI Key: InChIKey=YAQGBNTVJOCPCH-UHFFFAOYSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM4531 (4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth-Ayerst Research | Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra... | J Med Chem 44: 3965-77 (2001) Article DOI: 10.1021/jm0102250 BindingDB Entry DOI: 10.7270/Q2TD9VHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM4531 (4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of EGFR overexpressing A431 cell proliferation | Bioorg Med Chem Lett 12: 423-5 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CQ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM4531 (4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of Src protein tryrosine kinase | Bioorg Med Chem Lett 12: 423-5 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CQ7 | |||||||||||
More data for this Ligand-Target Pair |