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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 3' and Ligand = 'BDBM50187699'   
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 3


(Homo sapiens (Human))
BDBM50187699
PNG
(CHEMBL3828340)
Show SMILES C[C@@]1(O)C[C@](C1)([C@H](O)c1ccccn1)c1cc(ccn1)C(F)(F)F |r,wD:6.7,4.15,1.1,(.2,-3.5,;-.86,-4.12,;-.86,-5.35,;-2.35,-4.52,;-2.66,-3.08,;-1.26,-2.64,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-6.67,-3.86,;-5.33,-3.09,;-5.32,-7.71,;-4.26,-8.32,;-6.39,-8.33,;-5.32,-8.94,)|
Show InChI InChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15-,16-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced currents by patch-clamp electrophysi...


J Med Chem 59: 4926-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00287
BindingDB Entry DOI: 10.7270/Q2765H90
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM50187699
PNG
(CHEMBL3828340)
Show SMILES C[C@@]1(O)C[C@](C1)([C@H](O)c1ccccn1)c1cc(ccn1)C(F)(F)F |r,wD:6.7,4.15,1.1,(.2,-3.5,;-.86,-4.12,;-.86,-5.35,;-2.35,-4.52,;-2.66,-3.08,;-1.26,-2.64,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-6.67,-3.86,;-5.33,-3.09,;-5.32,-7.71,;-4.26,-8.32,;-6.39,-8.33,;-5.32,-8.94,)|
Show InChI InChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 930n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced calcium flux by FLIPR analysis


J Med Chem 59: 4926-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00287
BindingDB Entry DOI: 10.7270/Q2765H90
More data for this
Ligand-Target Pair