BDBM50072673 CHEMBL3410058

SMILES: COc1ccc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

InChI Key: InChIKey=JSQDSLGQAWGGHE-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 = 50072673   

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))	BDBM50072673 (CHEMBL3410058) Show SMILES COc1ccc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C27H30N6O2/c1-19-17-28-26-24(19)25(29-18-30-26)20-5-9-22(10-6-20)33(16-15-32-13-3-4-14-32)27(34)31-21-7-11-23(35-2)12-8-21/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,31,34)(H,28,29,30)	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	9.24E+3	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