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Compile Data Set for Download or QSAR

Found 1978 hits with Last Name = 'mohr' and Initial = 'p'   
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
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.0530n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.0570n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to D5 dopamine receptor by radioligand binding assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50247054
PNG
(6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
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0.120n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.160n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268291
PNG
((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of binding to human D1 receptor expressed in HEK 293 cells by radioligand binding assay


J Med Chem 49: 760-9 (2006)


Article DOI: 10.1021/jm050846j
BindingDB Entry DOI: 10.7270/Q22R3SF9
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268323
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2
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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184439
PNG
(3,11-Dihydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibe...)
Show SMILES CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-8-6-15-11-17(20)4-2-13(15)10-14-3-5-18(21)12-16(14)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3
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0.540n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184432
PNG
(3,11-Dimethoxy-7-methyl-5,6,7,8,9,14-hexahydrodibe...)
Show SMILES COc1ccc2Cc3ccc(OC)cc3CCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO2/c1-21-10-8-17-13-19(22-2)6-4-15(17)12-16-5-7-20(23-3)14-18(16)9-11-21/h4-7,13-14H,8-12H2,1-3H3
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0.620n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.830n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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0.980n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to D5 dopamine receptor by radioligand binding assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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0.990n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2L dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268291
PNG
((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50269054
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H30F5N3O2/c1-16(2)30-9-5-18(6-10-30)34-19-3-4-20-17(13-19)14-21(32(20)15-24(27,28)29)22(33)31-11-7-23(25,26)8-12-31/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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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](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50269053
PNG
((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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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](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184438
PNG
(2,4-dichloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H19Cl2NO/c1-21-8-6-12-4-2-3-5-13(12)10-14-11-16(19)18(22)17(20)15(14)7-9-21/h2-5,11,22H,6-10H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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1.35n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to D5 dopamine receptor by radioligand binding assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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1.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of binding to human D5 receptor expressed in HEK 293 cells by radioligand binding assay


J Med Chem 49: 760-9 (2006)


Article DOI: 10.1021/jm050846j
BindingDB Entry DOI: 10.7270/Q22R3SF9
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184439
PNG
(3,11-Dihydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibe...)
Show SMILES CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-8-6-15-11-17(20)4-2-13(15)10-14-3-5-18(21)12-16(14)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3
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1.68n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to D5 dopamine receptor by radioligand binding assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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1.69n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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1.69n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of binding to human D5 receptor expressed in HEK 293 cells by functional calcium assay


J Med Chem 49: 760-9 (2006)


Article DOI: 10.1021/jm050846j
BindingDB Entry DOI: 10.7270/Q22R3SF9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184440
PNG
(1-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2c(CC1)ccc(O)c2Cl
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-15(13)12-16-14(9-11-20)6-7-17(21)18(16)19/h2-7,21H,8-12H2,1H3
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1.88n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to D3 dopamine receptor by radioligand binding assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184439
PNG
(3,11-Dihydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibe...)
Show SMILES CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-8-6-15-11-17(20)4-2-13(15)10-14-3-5-18(21)12-16(14)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3
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2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268947
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...)
Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1
Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
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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](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268451
PNG
(2-(ethoxycarbonyl)-1H-indole-5-carboxylic acid | C...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268323
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50269098
PNG
((4,4-difluoropiperidin-1-yl)(1-(4-fluorophenylsulf...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F3N3O4S/c1-19(2)32-13-9-22(10-14-32)38-23-5-8-25-20(17-23)18-26(27(35)33-15-11-28(30,31)12-16-33)34(25)39(36,37)24-6-3-21(29)4-7-24/h3-8,17-19,22H,9-16H2,1-2H3
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184431
PNG
(3-Chloro-2-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-8-6-13-4-2-3-5-14(13)10-16-12-18(21)17(19)11-15(16)7-9-20/h2-5,11-12,21H,6-10H2,1H3
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2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2L dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50269099
PNG
(2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3
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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](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268815
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2c(F)cc(cc2F)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50370569
PNG
(A-349,821 | A-349821)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268947
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...)
Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1
Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268996
PNG
((3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268997
PNG
((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3
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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](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50370693
PNG
(CHEMBL1202298)
Show SMILES CN1CCc2ccccc2Cc2cc(O)c(O)cc2CC1
Show InChI InChI=1S/C18H21NO2/c1-19-8-6-13-4-2-3-5-14(13)10-16-12-18(21)17(20)11-15(16)7-9-19/h2-5,11-12,20-21H,6-10H2,1H3
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2.32n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of binding to human D5 receptor expressed in HEK 293 cells by functional calcium assay


J Med Chem 49: 760-9 (2006)


Article DOI: 10.1021/jm050846j
BindingDB Entry DOI: 10.7270/Q22R3SF9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322986
PNG
(CHEMBL1210141 | N-(1-((2,6-diethoxy-4'-(trifluorom...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H34F3N3O4/c1-4-38-26-15-21(16-27(39-5-2)28(26)22-6-8-25(9-7-22)40-30(31,32)33)19-36-12-10-24(11-13-36)35-29(37)23-14-20(3)17-34-18-23/h6-9,14-18,24H,4-5,10-13,19H2,1-3H3,(H,35,37)
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2.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 11 Tyr SST14 from human SST5 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.026
BindingDB Entry DOI: 10.7270/Q2J103BN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322979
PNG
(CHEMBL1210209 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC)nc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H35FN4O3/c1-4-36-25-16-20(17-26(37-5-2)28(25)21-6-9-23(30)10-7-21)19-34-14-12-24(13-15-34)33-29(35)22-8-11-27(31-3)32-18-22/h6-11,16-18,24H,4-5,12-15,19H2,1-3H3,(H,31,32)(H,33,35)
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2.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 11 Tyr SST14 from human SST5 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.026
BindingDB Entry DOI: 10.7270/Q2J103BN
More data for this
Ligand-Target Pair
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