Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50080169'   

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))	BDBM50080169 (CHEMBL76625 | Phosphoric acid mono-(4-{(S)-2-acety...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1nc(CC2CCCCC2)cs1 Show InChI InChI=1S/C22H30N3O6PS/c1-15(26)24-20(12-17-7-9-19(10-8-17)31-32(28,29)30)22(27)23-13-21-25-18(14-33-21)11-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,27)(H,24,26)(H2,28,29,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.83E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Src SH2 domain				Bioorg Med Chem Lett 9: 2353-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9QZ5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50080169 (CHEMBL76625 | Phosphoric acid mono-(4-{(S)-2-acety...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1nc(CC2CCCCC2)cs1 Show InChI InChI=1S/C22H30N3O6PS/c1-15(26)24-20(12-17-7-9-19(10-8-17)31-32(28,29)30)22(27)23-13-21-25-18(14-33-21)11-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,27)(H,24,26)(H2,28,29,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.83E+5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against Src-homology 2 (SRC SH2).				Bioorg Med Chem Lett 9: 2359-64 (1999) BindingDB Entry DOI: 10.7270/Q2G73CX5
					More data for this Ligand-Target Pair