BDBM50431128 CHEMBL2331562

SMILES: OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1

InChI Key: InChIKey=MPCRMOBUNIRDSJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50431128   

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))	BDBM50431128 (CHEMBL2331562) Show SMILES OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20N4O2/c24-11-10-23(14-15-4-2-1-3-5-15)19(25)22-18-8-6-16(7-9-18)17-12-20-21-13-17/h1-9,12-13,24H,10-11,14H2,(H,20,21)(H,22,25)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode				Bioorg Med Chem 23: 2505-17 (2015) Article DOI: 10.1016/j.bmc.2015.03.047 BindingDB Entry DOI: 10.7270/Q2ZP47SX
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50431128 (CHEMBL2331562) Show SMILES OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20N4O2/c24-11-10-23(14-15-4-2-1-3-5-15)19(25)22-18-8-6-16(7-9-18)17-12-20-21-13-17/h1-9,12-13,24H,10-11,14H2,(H,20,21)(H,22,25)	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	33	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50431128 (CHEMBL2331562) Show SMILES OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20N4O2/c24-11-10-23(14-15-4-2-1-3-5-15)19(25)22-18-8-6-16(7-9-18)17-12-20-21-13-17/h1-9,12-13,24H,10-11,14H2,(H,20,21)(H,22,25)	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	12	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 2 (Homo sapiens (Human))	BDBM50431128 (CHEMBL2331562) Show SMILES OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20N4O2/c24-11-10-23(14-15-4-2-1-3-5-15)19(25)22-18-8-6-16(7-9-18)17-12-20-21-13-17/h1-9,12-13,24H,10-11,14H2,(H,20,21)(H,22,25)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode				Bioorg Med Chem 23: 2505-17 (2015) Article DOI: 10.1016/j.bmc.2015.03.047 BindingDB Entry DOI: 10.7270/Q2ZP47SX
					More data for this Ligand-Target Pair