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Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'moreau' and Initial = 'jl'   
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 2C


(Homo sapiens (Human))
BDBM50471324
PNG
(CHEMBL318639)
Show SMILES COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3
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0.398n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077223
PNG
(CHEMBL3416881)
Show SMILES CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H26ClN3O3/c1-27(2)23(30)15-29-14-20(19-8-7-18(26)13-22(19)29)24(31)28-11-9-25(10-12-28)21-6-4-3-5-17(21)16-32-25/h3-8,13-14H,9-12,15-16H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077221
PNG
(CHEMBL3416883)
Show SMILES CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-4-6-21(29)16-31-17-23(22-9-8-20(28)15-25(22)31)26(32)30-13-10-27(11-14-30)24-7-3-2-5-19(24)18-33-27/h2-3,5,7-9,15,17,21H,4,6,10-14,16,18H2,1H3/t21-/m0/s1
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077217
PNG
(CHEMBL3416885)
Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077452
PNG
(CHEMBL3416868)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C28H31ClN4O3/c1-30-12-14-31(15-13-30)26(34)18-33-17-23(22-7-6-21(29)16-25(22)33)27(35)32-10-8-28(9-11-32)24-5-3-2-4-20(24)19-36-28/h2-7,16-17H,8-15,18-19H2,1H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471314
PNG
(CHEMBL414163)
Show SMILES COc1ccc2Cc3ccn(CC(C)N)c3-c2c1
Show InChI InChI=1S/C15H18N2O/c1-10(16)9-17-6-5-12-7-11-3-4-13(18-2)8-14(11)15(12)17/h3-6,8,10H,7,9,16H2,1-2H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471326
PNG
(CHEMBL2114265)
Show SMILES COc1ccc2Cc3ccn(C[C@H](C)N)c3-c2c1 |r|
Show InChI InChI=1S/C15H18N2O/c1-10(16)9-17-6-5-12-7-11-3-4-13(18-2)8-14(11)15(12)17/h3-6,8,10H,7,9,16H2,1-2H3/t10-/m0/s1
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471318
PNG
(CHEMBL2114266)
Show SMILES C[C@H](N)Cn1ccc2c(Cl)c(F)ccc12 |r|
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471329
PNG
(CHEMBL2115254)
Show SMILES C[C@@H](N)Cn1ccc2c(Cl)c(F)ccc12 |r|
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077222
PNG
(CHEMBL3416882)
Show SMILES Clc1ccc2c(cn(C[C@@H]3CCCN3)c2c1)C(=O)N1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C26H28ClN3O2/c27-19-7-8-21-22(16-30(24(21)14-19)15-20-5-3-11-28-20)25(31)29-12-9-26(10-13-29)23-6-2-1-4-18(23)17-32-26/h1-2,4,6-8,14,16,20,28H,3,5,9-13,15,17H2/t20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077310
PNG
(CHEMBL3416869)
Show SMILES CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33)
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077213
PNG
(CHEMBL3416860)
Show SMILES Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H28N2O2/c1-21-27(24-12-6-8-14-26(24)31(21)19-22-9-3-2-4-10-22)28(32)30-17-15-29(16-18-30)25-13-7-5-11-23(25)20-33-29/h2-14H,15-20H2,1H3
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471312
PNG
(CHEMBL313856)
Show SMILES CC(N)Cn1ccc2cc(Cl)c(F)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471325
PNG
(CHEMBL93154)
Show SMILES CC(N)Cn1ccc2Cc3ccc(F)cc3-c12
Show InChI InChI=1S/C14H15FN2/c1-9(16)8-17-5-4-11-6-10-2-3-12(15)7-13(10)14(11)17/h2-5,7,9H,6,8,16H2,1H3
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3.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85863
PNG
(CAS_170493-63-7 | NSC_3045228 | Ro 600332)
Show SMILES CC(N)Cn1ccc2c1-c1cc(C)ccc1C2(C)C
Show InChI InChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3
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3.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471321
PNG
(CHEMBL91855)
Show SMILES CC(N)Cn1ccc2Cc3ccc(Cl)cc3-c12
Show InChI InChI=1S/C14H15ClN2/c1-9(16)8-17-5-4-11-6-10-2-3-12(15)7-13(10)14(11)17/h2-5,7,9H,6,8,16H2,1H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077206
PNG
(CHEMBL3416861)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H19ClN2O2/c22-15-5-6-16-17(12-23-19(16)11-15)20(25)24-9-7-21(8-10-24)18-4-2-1-3-14(18)13-26-21/h1-6,11-12,23H,7-10,13H2
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471328
PNG
(CHEMBL92656)
Show SMILES CC(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
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077219
PNG
(CHEMBL3416884)
Show SMILES CN1CCC(CC1)n1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-8-21(9-13-29)31-17-23(22-7-6-20(28)16-25(22)31)26(32)30-14-10-27(11-15-30)24-5-3-2-4-19(24)18-33-27/h2-7,16-17,21H,8-15,18H2,1H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471315
PNG
(CHEMBL320145)
Show SMILES CC(N)Cn1ccc2Cc3ccc(Br)cc3-c12
Show InChI InChI=1S/C14H15BrN2/c1-9(16)8-17-5-4-11-6-10-2-3-12(15)7-13(10)14(11)17/h2-5,7,9H,6,8,16H2,1H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471319
PNG
(CHEMBL2115252)
Show SMILES C[C@@H](N)Cn1ccc2cc(F)c(F)cc12 |r|
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m1/s1
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471331
PNG
(CHEMBL3350300)
Show SMILES COc1ccc2Cc3ccn(C[C@@H](C)N)c3-c2c1 |r|
Show InChI InChI=1S/C15H18N2O/c1-10(16)9-17-6-5-12-7-11-3-4-13(18-2)8-14(11)15(12)17/h3-6,8,10H,7,9,16H2,1-2H3/t10-/m1/s1
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321879
PNG
((R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine | 2-...)
Show SMILES CC(N)Cn1ccc2cc(Br)ccc12
Show InChI InChI=1S/C11H13BrN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077457
PNG
(CHEMBL3416873)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H17ClN2O3/c22-13-5-6-14-16(12-23-18(14)11-13)19(25)24-9-7-21(8-10-24)17-4-2-1-3-15(17)20(26)27-21/h1-6,11-12,23H,7-10H2
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5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471322
PNG
(CHEMBL94272)
Show SMILES CC(N)Cn1ccc2c1-c1cc(F)ccc1C2(C)C
Show InChI InChI=1S/C16H19FN2/c1-10(18)9-19-7-6-14-15(19)12-8-11(17)4-5-13(12)16(14,2)3/h4-8,10H,9,18H2,1-3H3
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5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077309
PNG
(CHEMBL3416870)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OCc1cccnc21
Show InChI InChI=1S/C20H18ClN3O2/c21-14-3-4-15-16(11-23-17(15)10-14)19(25)24-8-5-20(6-9-24)18-13(12-26-20)2-1-7-22-18/h1-4,7,10-11,23H,5-6,8-9,12H2
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5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471316
PNG
(CHEMBL317677)
Show SMILES CC(N)Cn1ccc2c(C)cccc12
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-12-11(9)6-7-14(12)8-10(2)13/h3-7,10H,8,13H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321881
PNG
((R,S)-1-(5-fluoro-1H-indol-1-yl)propan-2-amine | 2...)
Show SMILES CC(N)Cn1ccc2cc(F)ccc12
Show InChI InChI=1S/C11H13FN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
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6.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321880
PNG
((R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine | 2...)
Show SMILES CC(N)Cn1ccc2cc(Cl)ccc12
Show InChI InChI=1S/C11H13ClN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
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7.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471313
PNG
(CHEMBL92565)
Show SMILES CC(N)Cn1ccc2c(F)cccc12
Show InChI InChI=1S/C11H13FN2/c1-8(13)7-14-6-5-9-10(12)3-2-4-11(9)14/h2-6,8H,7,13H2,1H3
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7.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471332
PNG
(CHEMBL96312)
Show SMILES CC(N)Cn1ccc2Cc3ccc(C)cc3-c12
Show InChI InChI=1S/C15H18N2/c1-10-3-4-12-8-13-5-6-17(9-11(2)16)15(13)14(12)7-10/h3-7,11H,8-9,16H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077227
PNG
(CHEMBL3416878)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H19ClN4O2/c22-13-5-6-15-16(12-23-18(15)11-13)20(27)25-9-7-14(8-10-25)26-19-4-2-1-3-17(19)24-21(26)28/h1-6,11-12,14,23H,7-10H2,(H,24,28)
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8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077274
PNG
(CHEMBL3416871)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OCc1ccncc21
Show InChI InChI=1S/C20H18ClN3O2/c21-14-1-2-15-16(10-23-18(15)9-14)19(25)24-7-4-20(5-8-24)17-11-22-6-3-13(17)12-26-20/h1-3,6,9-11,23H,4-5,7-8,12H2
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9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50471324
PNG
(CHEMBL318639)
Show SMILES COc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-11(18)10-19-8-7-15-16(19)13-9-12(20-4)5-6-14(13)17(15,2)3/h5-9,11H,10,18H2,1-4H3
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50471329
PNG
(CHEMBL2115254)
Show SMILES C[C@@H](N)Cn1ccc2c(Cl)c(F)ccc12 |r|
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m1/s1
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50025197
PNG
(CHEMBL96816)
Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50298361
PNG
((R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc12 |r|
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m1/s1
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10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Mus musculus)
BDBM50077219
PNG
(CHEMBL3416884)
Show SMILES CN1CCC(CC1)n1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-8-21(9-13-29)31-17-23(22-7-6-20(28)16-25(22)31)26(32)30-14-10-27(11-15-30)24-5-3-2-4-19(24)18-33-27/h2-7,16-17,21H,8-15,18H2,1H3
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11n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471323
PNG
(CHEMBL96876)
Show SMILES COc1cccc2Cc3ccn(CC(C)N)c3-c12
Show InChI InChI=1S/C15H18N2O/c1-10(16)9-17-7-6-12-8-11-4-3-5-13(18-2)14(11)15(12)17/h3-7,10H,8-9,16H2,1-2H3
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471320
PNG
(CHEMBL273304)
Show SMILES COc1ccc-2c(Cc3ccn(CC(C)N)c-23)c1
Show InChI InChI=1S/C15H18N2O/c1-10(16)9-17-6-5-11-7-12-8-13(18-2)3-4-14(12)15(11)17/h3-6,8,10H,7,9,16H2,1-2H3
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Mus musculus)
BDBM50077221
PNG
(CHEMBL3416883)
Show SMILES CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-4-6-21(29)16-31-17-23(22-9-8-20(28)15-25(22)31)26(32)30-13-10-27(11-14-30)24-7-3-2-5-19(24)18-33-27/h2-3,5,7-9,15,17,21H,4,6,10-14,16,18H2,1H3/t21-/m0/s1
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Mus musculus)
BDBM50077223
PNG
(CHEMBL3416881)
Show SMILES CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H26ClN3O3/c1-27(2)23(30)15-29-14-20(19-8-7-18(26)13-22(19)29)24(31)28-11-9-25(10-12-28)21-6-4-3-5-17(21)16-32-25/h3-8,13-14H,9-12,15-16H2,1-2H3
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14n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50471327
PNG
(CHEMBL92040)
Show SMILES CC(N)Cn1ccc2ccc(C)cc12
Show InChI InChI=1S/C12H16N2/c1-9-3-4-11-5-6-14(8-10(2)13)12(11)7-9/h3-7,10H,8,13H2,1-2H3
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16n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077456
PNG
(CHEMBL3416874)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(COc3ccccc23)CC1
Show InChI InChI=1S/C21H19ClN2O2/c22-14-5-6-15-16(12-23-18(15)11-14)20(25)24-9-7-21(8-10-24)13-26-19-4-2-1-3-17(19)21/h1-6,11-12,23H,7-10,13H2
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16n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077226
PNG
(CHEMBL3416879)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H19ClN2O/c21-16-6-7-17-18(13-22-19(17)12-16)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077228
PNG
(CHEMBL3416876)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)c1ccccc1CS2(=O)=O
Show InChI InChI=1S/C21H19ClN2O3S/c22-15-5-6-16-17(12-23-19(16)11-15)20(25)24-9-7-21(8-10-24)18-4-2-1-3-14(18)13-28(21,26)27/h1-6,11-12,23H,7-10,13H2
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24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077248
PNG
(CHEMBL3416875)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CNc3ccccc23)CC1
Show InChI InChI=1S/C21H20ClN3O/c22-14-5-6-15-16(12-23-19(15)11-14)20(26)25-9-7-21(8-10-25)13-24-18-4-2-1-3-17(18)21/h1-6,11-12,23-24H,7-10,13H2
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27n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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32n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
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