BDBM50004420 CHEMBL3238165

SMILES: CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1

InChI Key: InChIKey=VCLRIAOEGHANHZ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50004420   

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))	BDBM50004420 (CHEMBL3238165) Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1 Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)	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	346	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of truncated ROCK-1 (unknown origin)				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50004420 (CHEMBL3238165) Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1 Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)	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	n/a	n/a	760	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50004420 (CHEMBL3238165) Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1 Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Laboratories Inc Curated by ChEMBL					Assay Description Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay				Bioorg Med Chem Lett 24: 1875-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.017 BindingDB Entry DOI: 10.7270/Q21Z45X8
					More data for this Ligand-Target Pair