Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50175211'   

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))	BDBM50175211 (CHEMBL373054 | N-(4-(4-amino-1-(1-benzylpiperidin-...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(Cc3ccccc3)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H29F4N7O2/c1-45-26-15-20(7-10-25(26)40-31(44)23-9-8-21(16-24(23)33)32(34,35)36)28-27-29(37)38-18-39-30(27)43(41-28)22-11-13-42(14-12-22)17-19-5-3-2-4-6-19/h2-10,15-16,18,22H,11-14,17H2,1H3,(H,40,44)(H2,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	341	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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50175211 (CHEMBL373054 | N-(4-(4-amino-1-(1-benzylpiperidin-...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(Cc3ccccc3)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H29F4N7O2/c1-45-26-15-20(7-10-25(26)40-31(44)23-9-8-21(16-24(23)33)32(34,35)36)28-27-29(37)38-18-39-30(27)43(41-28)22-11-13-42(14-12-22)17-19-5-3-2-4-6-19/h2-10,15-16,18,22H,11-14,17H2,1H3,(H,40,44)(H2,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	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