BDBM50309114 1-methyl-4-(3-(piperidin-1-yl)-6-(pyridin-4-yl)pyrazin-2-yl)-1,4-diazepane::CHEMBL602753

SMILES: CN1CCCN(CC1)c1nc(cnc1N1CCCCC1)-c1ccncc1

InChI Key: InChIKey=WDLCISHIIHRLLT-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 = 50309114   

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))	BDBM50309114 (1-methyl-4-(3-(piperidin-1-yl)-6-(pyridin-4-yl)pyr...) Show SMILES CN1CCCN(CC1)c1nc(cnc1N1CCCCC1)-c1ccncc1 Show InChI InChI=1S/C20H28N6/c1-24-10-5-13-26(15-14-24)20-19(25-11-3-2-4-12-25)22-16-18(23-20)17-6-8-21-9-7-17/h6-9,16H,2-5,10-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human recombinant ROCK1				Bioorg Med Chem Lett 20: 1137-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.012 BindingDB Entry DOI: 10.7270/Q2QR4X7J
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50309114 (1-methyl-4-(3-(piperidin-1-yl)-6-(pyridin-4-yl)pyr...) Show SMILES CN1CCCN(CC1)c1nc(cnc1N1CCCCC1)-c1ccncc1 Show InChI InChI=1S/C20H28N6/c1-24-10-5-13-26(15-14-24)20-19(25-11-3-2-4-12-25)22-16-18(23-20)17-6-8-21-9-7-17/h6-9,16H,2-5,10-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human recombinant ROCK2				Bioorg Med Chem Lett 20: 1137-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.012 BindingDB Entry DOI: 10.7270/Q2QR4X7J
					More data for this Ligand-Target Pair