Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137583'   

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))	BDBM50137583 (3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...) Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1 Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Src protein tryrosine kinase				Bioorg Med Chem Lett 14: 187-90 (2003) BindingDB Entry DOI: 10.7270/Q2HM57VG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50137583 (3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...) Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1 Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against cellular Src protein tryrosine kinase using the actin ring assay				Bioorg Med Chem Lett 14: 187-90 (2003) BindingDB Entry DOI: 10.7270/Q2HM57VG
					More data for this Ligand-Target Pair