BDBM50299591 CHEMBL576712::N-(3-methoxyphenyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

SMILES: COc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

InChI Key: InChIKey=JMAQIAGPIUIAPQ-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 = 50299591   

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))	BDBM50299591 (CHEMBL576712 | N-(3-methoxyphenyl)-1-(5-methyl-7H-...) Show SMILES COc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C20H23N5O2/c1-13-11-21-18-17(13)19(23-12-22-18)25-8-6-14(7-9-25)20(26)24-15-4-3-5-16(10-15)27-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,24,26)(H,21,22,23)	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	520	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