BDBM50431130 CHEMBL2332063

SMILES: COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1

InChI Key: InChIKey=CNQICKRUYCWBEH-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 = 50431130   

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))	BDBM50431130 (CHEMBL2332063) Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H26N6O2/c1-26(2)9-10-27(15-16-5-4-6-19(11-16)29-3)21(28)25-20-8-7-17(12-22-20)18-13-23-24-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,23,24)(H,22,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay				J Med Chem 56: 3568-81 (2013) Article DOI: 10.1021/jm400062r BindingDB Entry DOI: 10.7270/Q28C9XMJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50431130 (CHEMBL2332063) Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H26N6O2/c1-26(2)9-10-27(15-16-5-4-6-19(11-16)29-3)21(28)25-20-8-7-17(12-22-20)18-13-23-24-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,23,24)(H,22,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin) after 4 hrs by HTRF assay				J Med Chem 56: 3568-81 (2013) Article DOI: 10.1021/jm400062r BindingDB Entry DOI: 10.7270/Q28C9XMJ
					More data for this Ligand-Target Pair