BDBM50072723 CHEMBL3410032

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

InChI Key: InChIKey=CAFZZJQYJOMPAV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50072723   

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))	BDBM50072723 (CHEMBL3410032) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H19N5O2/c1-13-11-22-20-18(13)19(23-12-24-20)14-3-5-15(6-4-14)25-21(27)26-16-7-9-17(28-2)10-8-16/h3-12H,1-2H3,(H,22,23,24)(H2,25,26,27)	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50072723 (CHEMBL3410032) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1 Show InChI InChI=1S/C21H19N5O2/c1-13-11-22-20-18(13)19(23-12-24-20)14-3-5-15(6-4-14)25-21(27)26-16-7-9-17(28-2)10-8-16/h3-12H,1-2H3,(H,22,23,24)(H2,25,26,27)	PDB MMDB KEGG B.MOAD 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 ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide 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