BDBM50431139 CHEMBL2332074

SMILES: COc1cccc(CN(CCCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1

InChI Key: InChIKey=MJGUYOIMZHRNLB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50431139   

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))	BDBM50431139 (CHEMBL2332074) Show SMILES COc1cccc(CN(CCCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H33N5O2/c1-33-25-8-5-7-21(17-25)20-31(16-6-15-30-13-3-2-4-14-30)26(32)29-24-11-9-22(10-12-24)23-18-27-28-19-23/h5,7-12,17-19H,2-4,6,13-16,20H2,1H3,(H,27,28)(H,29,32)	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	4	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))	BDBM50431139 (CHEMBL2332074) Show SMILES COc1cccc(CN(CCCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H33N5O2/c1-33-25-8-5-7-21(17-25)20-31(16-6-15-30-13-3-2-4-14-30)26(32)29-24-11-9-22(10-12-24)23-18-27-28-19-23/h5,7-12,17-19H,2-4,6,13-16,20H2,1H3,(H,27,28)(H,29,32)	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	4	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))	BDBM50431139 (CHEMBL2332074) Show SMILES COc1cccc(CN(CCCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H33N5O2/c1-33-25-8-5-7-21(17-25)20-31(16-6-15-30-13-3-2-4-14-30)26(32)29-24-11-9-22(10-12-24)23-18-27-28-19-23/h5,7-12,17-19H,2-4,6,13-16,20H2,1H3,(H,27,28)(H,29,32)	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	4	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