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BDBM50053888 CHEMBL85156::N,N'-Diallyl-6-{4-[2,2-bis-(4-fluoro-phenyl)-ethylamino]-piperidin-1-yl}-[1,3,5]triazine-2,4-diamine::N,N'-Diallyl-6-{4-[2,2-bis-(4-fluoro-phenyl)-ethylamino]-piperidin-1-yl}-[1,3,5]triazine-2,4-diamine; H2O::S-9788

SMILES: Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1

InChI Key: InChIKey=GERNFWKTMKWULM-UHFFFAOYSA-N

Data: 1 KI

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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 = 50053888   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053888
PNG
(CHEMBL85156 | N,N'-Diallyl-6-{4-[2,2-bis-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N7/c1-3-15-31-26-34-27(32-16-4-2)36-28(35-26)37-17-13-24(14-18-37)33-19-25(20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21/h3-12,24-25,33H,1-2,13-19H2,(H2,31,32,34,35,36)
PDB
MMDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
89n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair