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BDBM50309110 2-(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)pyrazin-2-ylamino)ethanol::CHEMBL589337

SMILES: CN1CCCN(CC1)c1nc(cnc1NCCO)-c1ccncc1

InChI Key: InChIKey=QQNMOYJOWGKMCM-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 = 50309110   
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))
BDBM50309110
PNG
(2-(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1NCCO)-c1ccncc1
Show InChI InChI=1S/C17H24N6O/c1-22-8-2-9-23(11-10-22)17-16(19-7-12-24)20-13-15(21-17)14-3-5-18-6-4-14/h3-6,13,24H,2,7-12H2,1H3,(H,19,20)
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 4.20E+4n/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))
BDBM50309110
PNG
(2-(3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)...)
Show SMILES CN1CCCN(CC1)c1nc(cnc1NCCO)-c1ccncc1
Show InChI InChI=1S/C17H24N6O/c1-22-8-2-9-23(11-10-22)17-16(19-7-12-24)20-13-15(21-17)14-3-5-18-6-4-14/h3-6,13,24H,2,7-12H2,1H3,(H,19,20)
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 3.00E+3n/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