Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50267546'   

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))	BDBM50267546 ((S)-N-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)-7...) Show SMILES COCCOc1cc2ncnc(Nc3c4OCOc4ccc3Cl)c2cc1NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C23H24ClN5O5/c1-31-7-8-32-19-10-16-13(9-17(19)28-23(30)15-3-2-6-25-15)22(27-11-26-16)29-20-14(24)4-5-18-21(20)34-12-33-18/h4-5,9-11,15,25H,2-3,6-8,12H2,1H3,(H,28,30)(H,26,27,29)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of Src kinase (unknown origin)				Bioorg Med Chem 17: 3152-61 (2009) Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T
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