BindingDB logo
myBDB logout

BDBM50336144 (1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide::CHEMBL1669532

SMILES: O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=ZMKULNNAJKQJNK-NEPJUHHUSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336144   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50336144
PNG
((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336144
PNG
((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair