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BDBM191646 US9186360, 21

SMILES: Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O

InChI Key: InChIKey=GBLKNVFTITUYJG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 191646   
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 A member 1


(Homo sapiens (Human))
BDBM191646
PNG
(US9186360, 21)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-14(23)13(8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 48.2n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...


US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM191646
PNG
(US9186360, 21)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-14(23)13(8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+3n/an/an/an/an/a30



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...


US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM191646
PNG
(US9186360, 21)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-14(23)13(8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/a30



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...


US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (TRPV4)


(Homo sapiens (Human))
BDBM191646
PNG
(US9186360, 21)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-14(23)13(8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 520n/an/an/an/an/a30



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...


US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM191646
PNG
(US9186360, 21)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16ClF3N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-14(23)13(8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/a30



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...


US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair