BDBM50358702 CHEMBL1922038

SMILES: COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1

InChI Key: InChIKey=HSOKLVXCJVXOOC-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 = 50358702   

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))	BDBM50358702 (CHEMBL1922038) Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H26N6O2/c1-28(2)9-10-29-21(23(30)24-13-16-5-4-6-19(11-16)31-3)12-17-7-8-20(27-22(17)29)18-14-25-26-15-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,24,30)(H,25,26)	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	243	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50358702 (CHEMBL1922038) Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H26N6O2/c1-28(2)9-10-29-21(23(30)24-13-16-5-4-6-19(11-16)31-3)12-17-7-8-20(27-22(17)29)18-14-25-26-15-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,24,30)(H,25,26)	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	43	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