BDBM6114 3-quinolinecarbonitrile analog 2b::4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-{5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl}quinoline-3-carbonitrile::7-thienyl-3-quinolinecarbonitrile 16
SMILES: COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
InChI Key: InChIKey=JIHWYZNENLBYIH-UHFFFAOYSA-N
Data: 2 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)) | BDBM6114 (3-quinolinecarbonitrile analog 2b | 4-[(2,4-dichlo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Wyeth Research | Assay Description Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono... | J Med Chem 49: 7868-76 (2006) Article DOI: 10.1021/jm061031t BindingDB Entry DOI: 10.7270/Q28K779J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM6114 (3-quinolinecarbonitrile analog 2b | 4-[(2,4-dichlo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth 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... | Bioorg Med Chem Lett 12: 2011-4 (2002) Article DOI: 10.1016/s0960-894x(02)00302-5 BindingDB Entry DOI: 10.7270/Q2PC30KC | |||||||||||
More data for this Ligand-Target Pair |