BDBM50309100 3-(4-methyl-1,4-diazepan-1-yl)-5-(3-methylpyridin-4-yl)pyrazin-2-amine::CHEMBL601935
SMILES: CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1C
InChI Key: InChIKey=LQABRTWTBAULPD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50309100 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)) | BDBM50309100
(3-(4-methyl-1,4-diazepan-1-yl)-5-(3-methylpyridin-...)Show InChI InChI=1S/C16H22N6/c1-12-10-18-5-4-13(12)14-11-19-15(17)16(20-14)22-7-3-6-21(2)8-9-22/h4-5,10-11H,3,6-9H2,1-2H3,(H2,17,19) | 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 | 1.20E+5 | 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)) | BDBM50309100
(3-(4-methyl-1,4-diazepan-1-yl)-5-(3-methylpyridin-...)Show InChI InChI=1S/C16H22N6/c1-12-10-18-5-4-13(12)14-11-19-15(17)16(20-14)22-7-3-6-21(2)8-9-22/h4-5,10-11H,3,6-9H2,1-2H3,(H2,17,19) | 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 | 5.80E+4 | 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 | |