BDBM50086056 5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (3-fluoro-5-pyridin-3-yl-phenyl)-amide::CHEMBL14276

SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F

InChI Key InChIKey=RRJLJKRFFRZRAF-UHFFFAOYSA-N

Data  3 KI  6 IC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50086056   

Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataKi:  1nMAssay Description:Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataKi:  10nMAssay Description:Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]5-HT as radioligand.Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataKi:  126nMAssay Description:Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]ketanserin as radioligand.Checked by AuthorMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 3A4Checked by AuthorMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataIC50: 8.20E+4nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 2C9Checked by AuthorMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 2D6Checked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataIC50: 10nMAssay Description:Inhibition of human 5HT2c receptor expressed in CHO-K1 cells assessed as inhibition of 5HT-induced calcium influx measured up to 30 secs by aequorin ...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 1A2.Checked by AuthorMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50086056(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human cytochrome P450 2C19Checked by AuthorMore data for this Ligand-Target Pair