Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50311912'   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311912 (4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...) Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1 Show InChI InChI=1S/C34H36F3N9O/c1-23-11-12-24(32(47)41-26-8-5-7-25(20-26)34(35,36)37)19-28(23)43-33-42-27-9-3-4-10-29(27)46(33)31-21-30(39-22-40-31)38-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-22H,6,13-18H2,1-2H3,(H,41,47)(H,42,43)(H,38,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311912 (4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...) Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1 Show InChI InChI=1S/C34H36F3N9O/c1-23-11-12-24(32(47)41-26-8-5-7-25(20-26)34(35,36)37)19-28(23)43-33-42-27-9-3-4-10-29(27)46(33)31-21-30(39-22-40-31)38-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-22H,6,13-18H2,1-2H3,(H,41,47)(H,42,43)(H,38,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair