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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 = 'BDBM185339'   
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))
BDBM185339
PNG
(US9156830, I-7)
Show SMILES Cc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(Cl)c1 |t:11|
Show InChI InChI=1S/C24H26ClN5O2/c1-15-28-29-22(32-15)17-13-20(25)21(26-14-17)16-9-11-30(12-10-16)23(31)27-19-7-5-18(6-8-19)24(2,3)4/h5-9,13-14H,10-12H2,1-4H3,(H,27,31)
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PC sid
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Similars

US Patent
n/an/a 0.5n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM185339
PNG
(US9156830, I-7)
Show SMILES Cc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(Cl)c1 |t:11|
Show InChI InChI=1S/C24H26ClN5O2/c1-15-28-29-22(32-15)17-13-20(25)21(26-14-17)16-9-11-30(12-10-16)23(31)27-19-7-5-18(6-8-19)24(2,3)4/h5-9,13-14H,10-12H2,1-4H3,(H,27,31)
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 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