BDBM50072674 CHEMBL3410059

SMILES: COc1ccc(NC(=O)N(CCN2CCCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

InChI Key: InChIKey=XDBNTHCORYCOIO-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 = 50072674   

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 1 (Homo sapiens (Human))	BDBM50072674 (CHEMBL3410059) Show SMILES COc1ccc(NC(=O)N(CCN2CCCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C28H32N6O2/c1-20-18-29-27-25(20)26(30-19-31-27)21-6-10-23(11-7-21)34(17-16-33-14-4-3-5-15-33)28(35)32-22-8-12-24(36-2)13-9-22/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,32,35)(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
					More data for this Ligand-Target Pair