Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LIM domain kinase 2' and Ligand = 'BDBM50299608'   

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
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50299608 ((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(6-methy...) Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]c(C)cc12 |r,w:11.12| Show InChI InChI=1S/C20H21BrN8/c1-13-8-17-18(26-13)24-12-25-19(17)28-6-7-29(14(2)10-28)20(23-11-22)27-16-5-3-4-15(21)9-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting				J Med Chem 52: 6515-8 (2009) Article DOI: 10.1021/jm901226j BindingDB Entry DOI: 10.7270/Q2HH6K4J
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