Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM182680'   

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))	BDBM182680 (US9145392, 381) Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N Show InChI InChI=1S/C27H30F4N8/c28-22-6-5-18(13-21(22)27(29,30)31)23-15-39(12-9-34-19-3-1-2-4-19)25(37-23)17-7-10-38(11-8-17)26-20(14-32)24(33)35-16-36-26/h5-6,13,15-17,19,34H,1-4,7-12H2,(H2,33,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
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