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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50046302'   
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))		BDBM50046302
PNG
(CHEMBL3314396)
Show SMILES CC(C(=O)NCc1ccc(nc1[C@H]1CC[C@@H](CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,wU:12.12,wD:15.19,(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.68,;8.92,-7.46,;8.92,-8.99,;10.25,-9.76,;10.24,-11.31,;8.91,-12.07,;7.58,-11.3,;7.58,-9.76,;8.9,-13.63,;10.24,-14.41,;7.55,-14.4,;8.9,-15.18,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.91,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.25,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.24,-6.67,)|
Show InChI InChI=1S/C27H35F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h8-9,12-14,16-17,20,34H,6-7,10-11,15H2,1-5H3,(H,32,35)/t16?,17-,20-
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Similars
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...

Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair