BDBM50299605 CHEMBL571261::N-(3-bromophenyl)-N'-cyano-5-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboximidamide

SMILES: Cc1c[nH]c2ncnc(N3CC4CC3CN4C(NC#N)=Nc3cccc(Br)c3)c12

InChI Key: InChIKey=BLMCSSLGKGQBHN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299605   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50299605 (CHEMBL571261 | N-(3-bromophenyl)-N'-cyano-5-(5-met...) Show SMILES Cc1c[nH]c2ncnc(N3CC4CC3CN4C(NC#N)=Nc3cccc(Br)c3)c12 |w:20.22| Show InChI InChI=1S/C20H19BrN8/c1-12-7-23-18-17(12)19(26-11-25-18)28-8-16-6-15(28)9-29(16)20(24-10-22)27-14-4-2-3-13(21)5-14/h2-5,7,11,15-16H,6,8-9H2,1H3,(H,24,27)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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
					More data for this Ligand-Target Pair