Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM431882'   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM431882 (US10550114, Compound 46) Show SMILES Cn1c2ccc(NC(=O)C=C)cc2n(C2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)c1=O Show InChI InChI=1S/C37H34N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h3-15,18,21-22,28H,1,16-17,19-20,23H2,2H3,(H,38,45)(H,39,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TECHNISCHE UNIVERSITÄT DORTMUND US Patent					Assay Description iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...				US Patent US10550114 (2020) BindingDB Entry DOI: 10.7270/Q2DV1N97
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM431882 (US10550114, Compound 46) Show SMILES Cn1c2ccc(NC(=O)C=C)cc2n(C2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)c1=O Show InChI InChI=1S/C37H34N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h3-15,18,21-22,28H,1,16-17,19-20,23H2,2H3,(H,38,45)(H,39,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TECHNISCHE UNIVERSITÄT DORTMUND US Patent					Assay Description iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...				US Patent US10550114 (2020) BindingDB Entry DOI: 10.7270/Q2DV1N97
					More data for this Ligand-Target Pair