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9 similar compounds to monomer 85097

Wt: 428.4
BDBM50086065
Purchase
Wt: 472.2
BDBM50321861
Wt: 425.2
BDBM50321862
Wt: 380.8
BDBM50321863
Wt: 364.3
BDBM50321864
Wt: 346.3
BDBM50321865
Wt: 398.8
BDBM50321889
Wt: 415.2
BDBM50321890
Wt: 380.8
BDBM50321891

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50086065,50321861,50321862,50321863,50321864,50321865,50321889,50321890,50321891   
Target
(Institution)
LigandTarget
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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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1n/an/an/an/an/an/an/an/a



GlaxoSmithkline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321890
PNG
(5,6-Dichloro-2,3-dihydro-indole-1-carboxylic acid ...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc23)cn1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-18(3-2-7-23-12)28-19-5-4-14(11-24-19)25-20(27)26-8-6-13-9-15(21)16(22)10-17(13)26/h2-5,7,9-11H,6,8H2,1H3,(H,25,27)
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2n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321862
PNG
(5-Bromo-2,3-dihydro-indole-1-carboxylic acid [6-(2...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
Show InChI InChI=1S/C20H17BrN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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3.20n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321861
PNG
(5-Iodo-2,3-dihydro-indole-1-carboxylic acid [6-(2-...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc23)cn1
Show InChI InChI=1S/C20H17IN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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3.20n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321891
PNG
(6-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-6-16(12-23-19)24-20(26)25-10-8-14-4-5-15(21)11-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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4n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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6.30n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321889
PNG
(6-Chloro-5-fluoro-2,3-dihydro-indole-1-carboxylic ...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc23)cn1
Show InChI InChI=1S/C20H16ClFN4O2/c1-12-18(3-2-7-23-12)28-19-5-4-14(11-24-19)25-20(27)26-8-6-13-9-16(22)15(21)10-17(13)26/h2-5,7,9-11H,6,8H2,1H3,(H,25,27)
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6.30n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321864
PNG
(5-Fluoro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc23)cn1
Show InChI InChI=1S/C20H17FN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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40n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]5-HT as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50321865
PNG
(2,3-Dihydro-indole-1-carboxylic acid [6-(2-methyl-...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc23)cn1
Show InChI InChI=1S/C20H18N4O2/c1-14-18(7-4-11-21-14)26-19-9-8-16(13-22-19)23-20(25)24-12-10-15-5-2-3-6-17(15)24/h2-9,11,13H,10,12H2,1H3,(H,23,25)
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100n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithkline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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158n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]ketanserin as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithkline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321890
PNG
(5,6-Dichloro-2,3-dihydro-indole-1-carboxylic acid ...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc23)cn1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-18(3-2-7-23-12)28-19-5-4-14(11-24-19)25-20(27)26-8-6-13-9-15(21)16(22)10-17(13)26/h2-5,7,9-11H,6,8H2,1H3,(H,25,27)
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251n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321891
PNG
(6-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(Cl)cc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-6-16(12-23-19)24-20(26)25-10-8-14-4-5-15(21)11-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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316n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321889
PNG
(6-Chloro-5-fluoro-2,3-dihydro-indole-1-carboxylic ...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc23)cn1
Show InChI InChI=1S/C20H16ClFN4O2/c1-12-18(3-2-7-23-12)28-19-5-4-14(11-24-19)25-20(27)26-8-6-13-9-16(22)15(21)10-17(13)26/h2-5,7,9-11H,6,8H2,1H3,(H,25,27)
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501n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321861
PNG
(5-Iodo-2,3-dihydro-indole-1-carboxylic acid [6-(2-...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc23)cn1
Show InChI InChI=1S/C20H17IN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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1.59E+3n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321862
PNG
(5-Bromo-2,3-dihydro-indole-1-carboxylic acid [6-(2...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
Show InChI InChI=1S/C20H17BrN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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3.98E+3n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321864
PNG
(5-Fluoro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc23)cn1
Show InChI InChI=1S/C20H17FN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321865
PNG
(2,3-Dihydro-indole-1-carboxylic acid [6-(2-methyl-...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc23)cn1
Show InChI InChI=1S/C20H18N4O2/c1-14-18(7-4-11-21-14)26-19-9-8-16(13-22-19)23-20(25)24-12-10-15-5-2-3-6-17(15)24/h2-9,11,13H,10,12H2,1H3,(H,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50321863
PNG
(5-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)ccc23)cn1
Show InChI InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of heterologously expressed human cytochrome P450 2C19


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of heterologously expressed human cytochrome P450 1A2


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of heterologously expressed human cytochrome P450 3A4


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a 2.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of heterologously expressed human cytochrome P450 2C9


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of heterologously expressed human cytochrome P450 2D6


J Med Chem 43: 1123-34 (2000)

Checked by Author
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a 0.700n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine at human cloned 5HT2C receptor expressed in CHOK1 cell


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a 32.4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT7 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50086065
PNG
(5-Methyl-6-trifluoromethyl-2,3-dihydro-indole-1-ca...)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)
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n/an/a 667n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair