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PubMed code 1323682

Compile data set for download or QSAR
Found 61 hits of Enzyme Inhibition Constant Data   
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
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 0.100n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001117
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001118
PNG
(8-(7,8-Dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]nap...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]ccc4c3O2)CC1
Show InChI InChI=1S/C24H26N4O3/c29-23-24(28(16-26-23)17-4-2-1-3-5-17)9-12-27(13-10-24)14-18-15-30-21-7-6-20-19(8-11-25-20)22(21)31-18/h1-8,11,18,25H,9-10,12-16H2,(H,26,29)
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 0.200n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/m...

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001113
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H27N5O4/c26-23(31)20-12-18-19(28-20)6-7-21-22(18)34-17(14-33-21)13-29-10-8-25(9-11-29)24(32)27-15-30(25)16-4-2-1-3-5-16/h1-7,12,17,28H,8-11,13-15H2,(H2,26,31)(H,27,32)
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001118
PNG
(8-(7,8-Dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]nap...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]ccc4c3O2)CC1
Show InChI InChI=1S/C24H26N4O3/c29-23-24(28(16-26-23)17-4-2-1-3-5-17)9-12-27(13-10-24)14-18-15-30-21-7-6-20-19(8-11-25-20)22(21)31-18/h1-8,11,18,25H,9-10,12-16H2,(H,26,29)
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 0.400n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 0.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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 0.600n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001113
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H27N5O4/c26-23(31)20-12-18-19(28-20)6-7-21-22(18)34-17(14-33-21)13-29-10-8-25(9-11-29)24(32)27-15-30(25)16-4-2-1-3-5-16/h1-7,12,17,28H,8-11,13-15H2,(H2,26,31)(H,27,32)
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 0.600n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001117
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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 0.600n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001114
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C26H28N4O5/c1-33-24(31)21-13-19-20(28-21)7-8-22-23(19)35-18(15-34-22)14-29-11-9-26(10-12-29)25(32)27-16-30(26)17-5-3-2-4-6-17/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,27,32)
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 0.900n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001110
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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 1n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001111
PNG
(8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihy...)
Show SMILES CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
Show InChI InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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 1.20n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 1.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001115
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
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 1.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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 1.80n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001113
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H27N5O4/c26-23(31)20-12-18-19(28-20)6-7-21-22(18)34-17(14-33-21)13-29-10-8-25(9-11-29)24(32)27-15-30(25)16-4-2-1-3-5-16/h1-7,12,17,28H,8-11,13-15H2,(H2,26,31)(H,27,32)
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 1.80n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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 2n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001109
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)
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 3n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001114
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C26H28N4O5/c1-33-24(31)21-13-19-20(28-21)7-8-22-23(19)35-18(15-34-22)14-29-11-9-26(10-12-29)25(32)27-16-30(26)17-5-3-2-4-6-17/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,27,32)
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 3.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using [3H]-U-86,17...

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001109
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)
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 3.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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 3.30n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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 4.30n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001109
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)
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 5.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001110
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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 5.80n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 6n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001114
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C26H28N4O5/c1-33-24(31)21-13-19-20(28-21)7-8-22-23(19)35-18(15-34-22)14-29-11-9-26(10-12-29)25(32)27-16-30(26)17-5-3-2-4-6-17/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,27,32)
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 6.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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 6.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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 8.80n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001115
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
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 11n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001114
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C26H28N4O5/c1-33-24(31)21-13-19-20(28-21)7-8-22-23(19)35-18(15-34-22)14-29-11-9-26(10-12-29)25(32)27-16-30(26)17-5-3-2-4-6-17/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,27,32)
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 11n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001111
PNG
(8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihy...)
Show SMILES CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
Show InChI InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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 12n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001110
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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 14n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001117
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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 16n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001121
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c30-23(31)20-12-18-19(27-20)6-7-21-22(18)34-17(14-33-21)13-28-10-8-25(9-11-28)24(32)26-15-29(25)16-4-2-1-3-5-16/h1-7,12,17,27H,8-11,13-15H2,(H,26,32)(H,30,31)
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 18n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001120
PNG
(8-(4-Carbamoyl-4-phenylamino-piperidin-1-ylmethyl)...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O5/c1-32-23(30)20-13-18-19(27-20)7-8-21-22(18)34-17(15-33-21)14-29-11-9-25(10-12-29,24(26)31)28-16-5-3-2-4-6-16/h2-8,13,17,27-28H,9-12,14-15H2,1H3,(H2,26,31)
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 20n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001120
PNG
(8-(4-Carbamoyl-4-phenylamino-piperidin-1-ylmethyl)...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O5/c1-32-23(30)20-13-18-19(27-20)7-8-21-22(18)34-17(15-33-21)14-29-11-9-25(10-12-29,24(26)31)28-16-5-3-2-4-6-16/h2-8,13,17,27-28H,9-12,14-15H2,1H3,(H2,26,31)
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 22n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001115
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
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 28n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001113
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H27N5O4/c26-23(31)20-12-18-19(28-20)6-7-21-22(18)34-17(14-33-21)13-29-10-8-25(9-11-29)24(32)27-15-30(25)16-4-2-1-3-5-16/h1-7,12,17,28H,8-11,13-15H2,(H2,26,31)(H,27,32)
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 29n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001110
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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 30n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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 32n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001117
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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 39n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001109
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)
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 40n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001115
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
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 41n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001121
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c30-23(31)20-12-18-19(27-20)6-7-21-22(18)34-17(14-33-21)13-28-10-8-25(9-11-28)24(32)26-15-29(25)16-4-2-1-3-5-16/h1-7,12,17,27H,8-11,13-15H2,(H,26,32)(H,30,31)
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 58n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001109
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C29H34N4O5/c1-2-3-15-36-27(34)24-16-22-23(31-24)9-10-25-26(22)38-21(18-37-25)17-32-13-11-29(12-14-32)28(35)30-19-33(29)20-7-5-4-6-8-20/h4-10,16,21,31H,2-3,11-15,17-19H2,1H3,(H,30,35)
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 93n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001121
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c30-23(31)20-12-18-19(27-20)6-7-21-22(18)34-17(14-33-21)13-28-10-8-25(9-11-28)24(32)26-15-29(25)16-4-2-1-3-5-16/h1-7,12,17,27H,8-11,13-15H2,(H,26,32)(H,30,31)
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 131n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001110
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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 143n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001111
PNG
(8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihy...)
Show SMILES CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
Show InChI InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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 170n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001120
PNG
(8-(4-Carbamoyl-4-phenylamino-piperidin-1-ylmethyl)...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O5/c1-32-23(30)20-13-18-19(27-20)7-8-21-22(18)34-17(15-33-21)14-29-11-9-25(10-12-29,24(26)31)28-16-5-3-2-4-6-16/h2-8,13,17,27-28H,9-12,14-15H2,1H3,(H2,26,31)
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 171n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001111
PNG
(8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihy...)
Show SMILES CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
Show InChI InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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 255n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 281n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001120
PNG
(8-(4-Carbamoyl-4-phenylamino-piperidin-1-ylmethyl)...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O5/c1-32-23(30)20-13-18-19(27-20)7-8-21-22(18)34-17(15-33-21)14-29-11-9-25(10-12-29,24(26)31)28-16-5-3-2-4-6-16/h2-8,13,17,27-28H,9-12,14-15H2,1H3,(H2,26,31)
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>388n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001115
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C30H33N3O3/c34-30(32-18-8-14-23-11-5-2-6-12-23)27-19-25-26(33-27)15-16-28-29(25)36-24(21-35-28)20-31-17-7-13-22-9-3-1-4-10-22/h1-6,9-12,15-16,19,24,31,33H,7-8,13-14,17-18,20-21H2,(H,32,34)
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 530n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001117
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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 765n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001121
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c30-23(31)20-12-18-19(27-20)6-7-21-22(18)34-17(14-33-21)13-28-10-8-25(9-11-28)24(32)26-15-29(25)16-4-2-1-3-5-16/h1-7,12,17,27H,8-11,13-15H2,(H,26,32)(H,30,31)
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>862n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001113
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H27N5O4/c26-23(31)20-12-18-19(28-20)6-7-21-22(18)34-17(14-33-21)13-29-10-8-25(9-11-29)24(32)27-15-30(25)16-4-2-1-3-5-16/h1-7,12,17,28H,8-11,13-15H2,(H2,26,31)(H,27,32)
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>1.72E+3n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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>1.72E+3n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))		BDBM50001121
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c30-23(31)20-12-18-19(27-20)6-7-21-22(18)34-17(14-33-21)13-28-10-8-25(9-11-28)24(32)26-15-29(25)16-4-2-1-3-5-16/h1-7,12,17,27H,8-11,13-15H2,(H,26,32)(H,30,31)
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>1.72E+3n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001111
PNG
(8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihy...)
Show SMILES CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
Show InChI InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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 2.43E+3n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)		BDBM50001120
PNG
(8-(4-Carbamoyl-4-phenylamino-piperidin-1-ylmethyl)...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O5/c1-32-23(30)20-13-18-19(27-20)7-8-21-22(18)34-17(15-33-21)14-29-11-9-25(10-12-29,24(26)31)28-16-5-3-2-4-6-16/h2-8,13,17,27-28H,9-12,14-15H2,1H3,(H2,26,31)
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 3.23E+3n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%