Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50175197'   

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))	BDBM50175197 (CHEMBL199369 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1)N(C)C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H38N8O3/c1-37(2)22-7-4-20(5-8-22)31(40)35-25-9-6-21(18-26(25)41-3)28-27-29(32)33-19-34-30(27)39(36-28)24-10-14-38(15-11-24)23-12-16-42-17-13-23/h4-9,18-19,23-24H,10-17H2,1-3H3,(H,35,40)(H2,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood				Bioorg Med Chem Lett 16: 118-22 (2005) Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50175197 (CHEMBL199369 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1)N(C)C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H38N8O3/c1-37(2)22-7-4-20(5-8-22)31(40)35-25-9-6-21(18-26(25)41-3)28-27-29(32)33-19-34-30(27)39(36-28)24-10-14-38(15-11-24)23-12-16-42-17-13-23/h4-9,18-19,23-24H,10-17H2,1-3H3,(H,35,40)(H2,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibitory activity against lck				Bioorg Med Chem Lett 16: 118-22 (2005) Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07
					More data for this Ligand-Target Pair