BDBM50358691 CHEMBL1922143

SMILES: COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1

InChI Key: InChIKey=CZYVRBPRTGDQLG-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 = 50358691   

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 2 (Homo sapiens (Human))	BDBM50358691 (CHEMBL1922143) Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H26N6O3/c1-32-18-4-2-3-16(11-18)12-25-24(31)22-20(15-30-7-9-33-10-8-30)19-5-6-21(28-23(19)29-22)17-13-26-27-14-17/h2-6,11,13-14H,7-10,12,15H2,1H3,(H,25,31)(H,26,27)(H,28,29)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2				Bioorg Med Chem Lett 21: 7113-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.084 BindingDB Entry DOI: 10.7270/Q2F1905N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50358691 (CHEMBL1922143) Show SMILES COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H26N6O3/c1-32-18-4-2-3-16(11-18)12-25-24(31)22-20(15-30-7-9-33-10-8-30)19-5-6-21(28-23(19)29-22)17-13-26-27-14-17/h2-6,11,13-14H,7-10,12,15H2,1H3,(H,25,31)(H,26,27)(H,28,29)	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	91	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: 7113-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.084 BindingDB Entry DOI: 10.7270/Q2F1905N
					More data for this Ligand-Target Pair