BindingDB logo
myBDB logout

BDBM50299370 CHEMBL573151::N2-(2,3-dihydro-1H-inden-2-yl)-6-(piperidin-1-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine

SMILES: C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCCC1

InChI Key: InChIKey=HKPMPHZIPODWJI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50299370   
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))
BDBM50299370
PNG
(CHEMBL573151 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C22H25N7/c1-4-12-29(13-5-1)22-27-20(24-18-8-10-23-11-9-18)26-21(28-22)25-19-14-16-6-2-3-7-17(16)15-19/h2-3,6-11,19H,1,4-5,12-15H2,(H2,23,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30E+3n/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