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SMILES: CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1

InChI Key: InChIKey=JERXWDBVRYWKDD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50212312   
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))
BDBM50212312
PNG
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50212312
PNG
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)
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n/an/a 105n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by FLIPR assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50212312
PNG
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)
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PubMed
n/an/a 105n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of low pH activation of rat TRPV1


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50212312
PNG
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)
PDB
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KEGG

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PC sid
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by FLIPR assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair