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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM60782'   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM60782
PNG
(US9156830, I-96)
Show SMILES Cc1cc(NC(=O)N2CCN(CC2)c2ncc(cc2Cl)-c2nc(CO)no2)ccc1C(F)(F)F
Show InChI InChI=1S/C21H20ClF3N6O3/c1-12-8-14(2-3-15(12)21(23,24)25)27-20(33)31-6-4-30(5-7-31)18-16(22)9-13(10-26-18)19-28-17(11-32)29-34-19/h2-3,8-10,32H,4-7,11H2,1H3,(H,27,33)
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PC cid
PC sid
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Similars

US Patent
n/an/a<100n/an/an/an/a7.4n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth med...


US Patent US9156830 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07R2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM60782
PNG
(US9156830, I-96)
Show SMILES Cc1cc(NC(=O)N2CCN(CC2)c2ncc(cc2Cl)-c2nc(CO)no2)ccc1C(F)(F)F
Show InChI InChI=1S/C21H20ClF3N6O3/c1-12-8-14(2-3-15(12)21(23,24)25)27-20(33)31-6-4-30(5-7-31)18-16(22)9-13(10-26-18)19-28-17(11-32)29-34-19/h2-3,8-10,32H,4-7,11H2,1H3,(H,27,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a<100n/an/an/an/a7.4n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Bect...


US Patent US9156830 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07R2
More data for this
Ligand-Target Pair