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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

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309100   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50309100
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(3-methylpyridin-...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1C
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/an/a 1.20E+5n/an/an/an/an/an/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
PNG
(3-(4-methyl-1,4-diazepan-1-yl)-5-(3-methylpyridin-...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1C
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/an/a 5.80E+4n/an/an/an/an/an/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