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BDBM50299377 (S)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpiperazin-1-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine::CHEMBL575575

SMILES: C[C@H]1CNCCN1c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1

InChI Key: InChIKey=YTZLVGNNQRAUDS-HNNXBMFYSA-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 = 50299377   
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))
BDBM50299377
PNG
((S)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpipe...)
Show SMILES C[C@H]1CNCCN1c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-24-10-11-30(15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m0/s1
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Similars

Article
PubMed
n/an/a 87n/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