BDBM50358698 CHEMBL1922029

SMILES: COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1

InChI Key: InChIKey=YJMNZRBIDTUOAU-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 = 50358698   

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))	BDBM50358698 (CHEMBL1922029) Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23)	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	37	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))	BDBM50358698 (CHEMBL1922029) Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-18(8-14)27-2)21(26)20-10-16-7-6-15(9-19(16)24-20)17-11-22-23-12-17/h3-12,24H,13H2,1-2H3,(H,22,23)	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	3	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