BDBM13051 3-quinolinecarbonitrile analog 21::4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[5-(morpholin-4-ylmethyl)-3-furyl]-3-quinolinecarbonitrile::4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile

SMILES: COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl

InChI Key: InChIKey=UOCJWOPVMGCOOS-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13051   

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))	BDBM13051 (3-quinolinecarbonitrile analog 21 | 4-[(2,4-Dichlo...) Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H24Cl2N4O4/c1-34-25-9-20-23(8-19(25)16-7-18(37-15-16)14-33-3-5-36-6-4-33)31-13-17(12-30)27(20)32-24-11-26(35-2)22(29)10-21(24)28/h7-11,13,15H,3-6,14H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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
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