BDBM50431133 CHEMBL2332059

SMILES: CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1

InChI Key: InChIKey=QPDAFPVNIOVXCG-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 = 50431133   

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))	BDBM50431133 (CHEMBL2332059) Show SMILES CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1 Show InChI InChI=1S/C21H25N5O/c1-26(2)13-12-20(17-6-4-3-5-7-17)25-21(27)24-19-10-8-16(9-11-19)18-14-22-23-15-18/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,23)(H2,24,25,27)	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	2	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 2 (Homo sapiens (Human))	BDBM50431133 (CHEMBL2332059) Show SMILES CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1 Show InChI InChI=1S/C21H25N5O/c1-26(2)13-12-20(17-6-4-3-5-7-17)25-21(27)24-19-10-8-16(9-11-19)18-14-22-23-15-18/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,23)(H2,24,25,27)	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	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))	BDBM50431133 (CHEMBL2332059) Show SMILES CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1 Show InChI InChI=1S/C21H25N5O/c1-26(2)13-12-20(17-6-4-3-5-7-17)25-21(27)24-19-10-8-16(9-11-19)18-14-22-23-15-18/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,23)(H2,24,25,27)	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	6	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))	BDBM50431133 (CHEMBL2332059) Show SMILES CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1 Show InChI InChI=1S/C21H25N5O/c1-26(2)13-12-20(17-6-4-3-5-7-17)25-21(27)24-19-10-8-16(9-11-19)18-14-22-23-15-18/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,23)(H2,24,25,27)	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	2	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