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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'nichols' and Initial = 'nf'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130068
PNG
((S)-2-(6-Fluoro-indol-1-yl)-1-methyl-ethylamine | ...)
Show SMILES C[C@H](N)Cn1ccc2ccc(F)cc12
Show InChI InChI=1S/C11H13FN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130081
PNG
(1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclo...)
Show SMILES C1Cn2c3CCNCCc3c3cccc(O1)c23
Show InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2
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4.10n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50107877
PNG
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)
Show SMILES CCCN(CCC)C1Cc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130081
PNG
(1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclo...)
Show SMILES C1Cn2c3CCNCCc3c3cccc(O1)c23
Show InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2
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4.30n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130084
PNG
(11-Chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)
Show SMILES Clc1c2CCNCCn2c2ccccc12
Show InChI InChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2
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4.70n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130087
PNG
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole ...)
Show SMILES C1Cc2cc3ccccc3n2CCN1
Show InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2
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4.80n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50107877
PNG
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)
Show SMILES CCCN(CCC)C1Cc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
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5.10n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50107867
PNG
((R)-2-Dipropylamino-indan-4-ol | (S)-2-Dipropylami...)
Show SMILES CCCN(CCC)C1Cc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130072
PNG
(1,2,3,4,5,6-Hexahydro-azepino[4,5-b]indole | CHEMB...)
Show SMILES C1Cc2[nH]c3ccccc3c2CCN1
Show InChI InChI=1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2
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6.10n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130084
PNG
(11-Chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)
Show SMILES Clc1c2CCNCCn2c2ccccc12
Show InChI InChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2
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6.5n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130070
PNG
(11-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)
Show SMILES Cc1c2CCNCCn2c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-10-11-4-2-3-5-13(11)15-9-8-14-7-6-12(10)15/h2-5,14H,6-9H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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7.20n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130072
PNG
(1,2,3,4,5,6-Hexahydro-azepino[4,5-b]indole | CHEMB...)
Show SMILES C1Cc2[nH]c3ccccc3c2CCN1
Show InChI InChI=1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2
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10n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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10n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130070
PNG
(11-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7...)
Show SMILES Cc1c2CCNCCn2c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-10-11-4-2-3-5-13(11)15-9-8-14-7-6-12(10)15/h2-5,14H,6-9H2,1H3
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12n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056444
PNG
((R)-5-Dimethylamino-5,6-dihydro-1H,4H-imidazo[4,5,...)
Show SMILES CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C12H15N3O/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10/h3-5,9H,6-7H2,1-2H3,(H,13,16)/t9-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130083
PNG
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole-...)
Show SMILES O=Cc1c2CCNCCn2c2ccccc12
Show InChI InChI=1S/C13H14N2O/c16-9-11-10-3-1-2-4-12(10)15-8-7-14-6-5-13(11)15/h1-4,9,14H,5-8H2
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12n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130082
PNG
(3-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-...)
Show SMILES CN1CCc2cc3ccccc3n2CC1
Show InChI InChI=1S/C13H16N2/c1-14-7-6-12-10-11-4-2-3-5-13(11)15(12)9-8-14/h2-5,10H,6-9H2,1H3
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13n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107870
PNG
(2-Dipropylamino-indan-5-ol | CHEMBL16409)
Show SMILES CCCN(CCC)C1Cc2ccc(O)cc2C1
Show InChI InChI=1S/C15H23NO/c1-3-7-16(8-4-2)14-9-12-5-6-15(17)11-13(12)10-14/h5-6,11,14,17H,3-4,7-10H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107874
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-3-yl...)
Show SMILES CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130088
PNG
(7-(2-Trifluoromethyl-phenyl)-2,3,4,5,11,11a-hexahy...)
Show SMILES FC(F)(F)c1ccccc1-c1cccc2CC3CCNCCN3c12
Show InChI InChI=1S/C19H19F3N2/c20-19(21,22)17-7-2-1-5-15(17)16-6-3-4-13-12-14-8-9-23-10-11-24(14)18(13)16/h1-7,14,23H,8-12H2
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14n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130087
PNG
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole ...)
Show SMILES C1Cc2cc3ccccc3n2CCN1
Show InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2
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18n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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19n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130095
PNG
(6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...)
Show SMILES Cn1c2CCNCCc2c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3
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19n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130095
PNG
(6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indol...)
Show SMILES Cn1c2CCNCCc2c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3
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19n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50107867
PNG
((R)-2-Dipropylamino-indan-4-ol | (S)-2-Dipropylami...)
Show SMILES CCCN(CCC)C1Cc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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19.5n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107883
PNG
(CHEMBL142535 | [2-(4-Bromo-phenyl)-ethyl]-(5,6-dim...)
Show SMILES CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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22n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107882
PNG
((5,6-Dimethoxy-indan-2-yl)-(3-phenyl-propyl)-propy...)
Show SMILES CCCN(CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H31NO2/c1-4-12-24(13-8-11-18-9-6-5-7-10-18)21-14-19-16-22(25-2)23(26-3)17-20(19)15-21/h5-7,9-10,16-17,21H,4,8,11-15H2,1-3H3
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23n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130089
PNG
(7-(2-Chloro-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1...)
Show SMILES Clc1ccccc1-c1cccc2CC3CCNCCN3c12
Show InChI InChI=1S/C18H19ClN2/c19-17-7-2-1-5-15(17)16-6-3-4-13-12-14-8-9-20-10-11-21(14)18(13)16/h1-7,14,20H,8-12H2
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23n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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24n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50107869
PNG
((5,6-Dimethoxy-indan-2-yl)-phenethyl-propyl-amine ...)
Show SMILES CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H29NO2/c1-4-11-23(12-10-17-8-6-5-7-9-17)20-13-18-15-21(24-2)22(25-3)16-19(18)14-20/h5-9,15-16,20H,4,10-14H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130082
PNG
(3-Methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-...)
Show SMILES CN1CCc2cc3ccccc3n2CC1
Show InChI InChI=1S/C13H16N2/c1-14-7-6-12-10-11-4-2-3-5-13(11)15(12)9-8-14/h2-5,10H,6-9H2,1H3
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28n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107873
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(3,4-dimethoxy-pheny...)
Show SMILES CCCN(CCc1ccc(OC)c(OC)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H33NO4/c1-6-10-25(11-9-17-7-8-21(26-2)22(12-17)27-3)20-13-18-15-23(28-4)24(29-5)16-19(18)14-20/h7-8,12,15-16,20H,6,9-11,13-14H2,1-5H3
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29n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130083
PNG
(2,3,4,5-Tetrahydro-1H-[1,4]diazepino[1,7-a]indole-...)
Show SMILES O=Cc1c2CCNCCn2c2ccccc12
Show InChI InChI=1S/C13H14N2O/c16-9-11-10-3-1-2-4-12(10)15-8-7-14-6-5-13(11)15/h1-4,9,14H,5-8H2
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29n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130080
PNG
(7-o-Tolyl-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepi...)
Show SMILES Cc1ccccc1-c1cccc2CC3CCNCCN3c12
Show InChI InChI=1S/C19H22N2/c1-14-5-2-3-7-17(14)18-8-4-6-15-13-16-9-10-20-11-12-21(16)19(15)18/h2-8,16,20H,9-13H2,1H3
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30n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130098
PNG
(3-Ethyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a...)
Show SMILES CCN1CCc2cc3ccccc3n2CC1
Show InChI InChI=1S/C14H18N2/c1-2-15-8-7-13-11-12-5-3-4-6-14(12)16(13)10-9-15/h3-6,11H,2,7-10H2,1H3
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30n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107881
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(3-fluoro-phenyl)-et...)
Show SMILES CCCN(CCc1cccc(F)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H28FNO2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107876
PNG
((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...)
Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107869
PNG
((5,6-Dimethoxy-indan-2-yl)-phenethyl-propyl-amine ...)
Show SMILES CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H29NO2/c1-4-11-23(12-10-17-8-6-5-7-9-17)20-13-18-15-21(24-2)22(25-3)16-19(18)14-20/h5-9,15-16,20H,4,10-14H2,1-3H3
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32n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130085
PNG
(9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCOc1ccccc1-c1cc(Cl)cc2cc3CCNCCn3c12
Show InChI InChI=1S/C20H21ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11-13,22H,2,7-10H2,1H3
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32n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130078
PNG
(9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...)
Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12
Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3
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32n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107879
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-[2-(4-trifluorom...)
Show SMILES CCCN(CCc1ccc(cc1)C(F)(F)F)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H28F3NO2/c1-4-10-27(11-9-16-5-7-19(8-6-16)23(24,25)26)20-12-17-14-21(28-2)22(29-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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34n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


Article DOI: 10.1021/jm010145w
BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
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