BDBM50358477 CHEMBL1923165

SMILES: COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1

InChI Key: InChIKey=XHIGXQJTNWSSII-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 = 50358477   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50358477 (CHEMBL1923165) Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1 Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-22-25-12)17-7-6-14-9-18(24-19(14)23-17)20(26)21-10-13-4-3-5-15(8-13)27-2/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK1				Bioorg Med Chem Lett 21: 7107-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50358477 (CHEMBL1923165) Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1 Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-22-25-12)17-7-6-14-9-18(24-19(14)23-17)20(26)21-10-13-4-3-5-15(8-13)27-2/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells				Bioorg Med Chem Lett 21: 7107-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5
					More data for this Ligand-Target Pair