Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50514535'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50514535 (CHEMBL4460150) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(OCc3ccc(C)cc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H35N7O2/c1-4-30(40)35-27-7-5-6-8-28(27)36-31-29(41-22-24-11-9-23(2)10-12-24)21-33-32(37-31)34-25-13-15-26(16-14-25)39-19-17-38(3)18-20-39/h4-16,21H,1,17-20,22H2,2-3H3,(H,35,40)(H2,33,34,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated...				J Med Chem 63: 1624-1641 (2020) Article DOI: 10.1021/acs.jmedchem.9b01502 BindingDB Entry DOI: 10.7270/Q2H998J8
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