BDBM50024270 CHEMBL85612

SMILES: [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3C\C(\C=C\C=C/[C@@]1([H])O2)=N\OCC(=O)Nc1ccc(cc1)N(CC)CC

InChI Key: InChIKey=YNDANYSKUQCMHH-WCMCAFRMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024270   

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 (Rattus norvegicus)	BDBM50024270 (CHEMBL85612) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3C\C(\C=C\C=C/[C@@]1([H])O2)=N\OCC(=O)Nc1ccc(cc1)N(CC)CC |c:22,t:20| Show InChI InChI=1S/C30H34ClN3O7/c1-4-34(5-2)21-12-10-19(11-13-21)32-27(37)17-39-33-20-8-6-7-9-25-26(41-25)14-18(3)40-30(38)28-22(15-20)29(31)24(36)16-23(28)35/h6-13,16,18,25-26,35-36H,4-5,14-15,17H2,1-3H3,(H,32,37)/b8-6+,9-7-,33-20+/t18-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					More data for this Ligand-Target Pair