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BDBM50299363 CHEMBL575555::N2-benzyl-6-(piperazin-1-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine

SMILES: C(Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1)c1ccccc1

InChI Key: InChIKey=ISYXVFFEJOZHOV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299363   
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))
BDBM50299363
PNG
(CHEMBL575555 | N2-benzyl-6-(piperazin-1-yl)-N4-(py...)
Show SMILES C(Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22N8/c1-2-4-15(5-3-1)14-22-17-24-18(23-16-6-8-20-9-7-16)26-19(25-17)27-12-10-21-11-13-27/h1-9,21H,10-14H2,(H2,20,22,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair