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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM244980'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM244980
PNG
(US9422293, 215 | US9738649, Example 215)
Show SMILES COC[C@@H]1CCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H28F6N6O/c1-40-16-19-4-3-13-39(19)25-36-22-11-15-38(24-21(27(31,32)33)5-2-12-34-24)14-10-20(22)23(37-25)35-18-8-6-17(7-9-18)26(28,29)30/h2,5-9,12,19H,3-4,10-11,13-16H2,1H3,(H,35,36,37)/t19-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
The assay was performed as described above, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...


US Patent US9738649 (2017)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM244980
PNG
(US9422293, 215 | US9738649, Example 215)
Show SMILES COC[C@@H]1CCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H28F6N6O/c1-40-16-19-4-3-13-39(19)25-36-22-11-15-38(24-21(27(31,32)33)5-2-12-34-24)14-10-20(22)23(37-25)35-18-8-6-17(7-9-18)26(28,29)30/h2,5-9,12,19H,3-4,10-11,13-16H2,1H3,(H,35,36,37)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay was performed as described below, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...


US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair