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Compile Data Set for Download or QSAR

Found 354 hits with Last Name = 'chiba' and Initial = 'm'   
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
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244370
PNG
((7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)m...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H26Cl2N2O/c23-18-4-1-5-19(24)21(18)16-8-11-26(12-9-16)14-15-6-7-17-3-2-10-25-22(17)20(27)13-15/h1-5,10,15-16,20,27H,6-9,11-14H2/t15-,20+/m1/s1
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 0.470n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244371
PNG
((7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methy...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H27ClN2O/c23-20-6-2-1-5-19(20)17-9-12-25(13-10-17)15-16-7-8-18-4-3-11-24-22(18)21(26)14-16/h1-6,11,16-17,21,26H,7-10,12-15H2/t16-,21+/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9955
PNG
((8S)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,19?,20?/m0/s1
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 3.10 -50.5 37n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243726
PNG
((7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-...)
Show SMILES C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C |r|
Show InChI InChI=1S/C24H32N2O/c1-17-6-3-4-8-21(17)22-11-13-26(15-18(22)2)16-19-9-10-20-7-5-12-25-24(20)23(27)14-19/h3-8,12,18-19,22-23,27H,9-11,13-16H2,1-2H3/t18-,19-,22-,23+/m1/s1
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 3.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243729
PNG
((7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-...)
Show SMILES Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Show InChI InChI=1S/C23H29FN2O2/c1-15-11-18(24)6-7-19(15)20-8-10-26(14-22(20)28)13-16-4-5-17-3-2-9-25-23(17)21(27)12-16/h2-3,6-7,9,11,16,20-22,27-28H,4-5,8,10,12-14H2,1H3/t16-,20+,21+,22-/m1/s1
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 3.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243727
PNG
((7R,9S)-7-(((3S,4R)-3-(hydroxymethyl)-4-o-tolylpip...)
Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO |r|
Show InChI InChI=1S/C24H32N2O2/c1-17-5-2-3-7-21(17)22-10-12-26(15-20(22)16-27)14-18-8-9-19-6-4-11-25-24(19)23(28)13-18/h2-7,11,18,20,22-23,27-28H,8-10,12-16H2,1H3/t18-,20+,22-,23+/m1/s1
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 4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243730
PNG
((7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-...)
Show SMILES O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C22H26ClFN2O2/c23-19-11-16(24)5-6-17(19)18-7-9-26(13-21(18)28)12-14-3-4-15-2-1-8-25-22(15)20(27)10-14/h1-2,5-6,8,11,14,18,20-21,27-28H,3-4,7,9-10,12-13H2/t14-,18-,20+,21+/m1/s1
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 4.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9948
PNG
((8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1
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 4.70 -49.4 54n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9951
PNG
((8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
Show InChI InChI=1S/C24H34O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,15-16,18-20H,4-9,11,13-14H2,1-3H3/t16-,18?,19?,20?,23?,24?/m1/s1
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 5 -49.3 54n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9960
PNG
((8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,19?,20?/m1/s1
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 5.30 -49.1 49n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9968
PNG
((8R)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18?,19?/m1/s1
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 6 -48.8 50n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244297
PNG
(CHEMBL513585 | cis-1-methyl-7-((4-o-tolylpiperidin...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C25H33NO/c1-18-6-3-4-8-22(18)21-12-14-26(15-13-21)17-20-10-11-23-19(2)7-5-9-24(23)25(27)16-20/h3-9,20-21,25,27H,10-17H2,1-2H3/t20-,25+/m1/s1
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 6n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9981
PNG
(2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]he...)
Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |t:8|
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3
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 6.80n/a 60n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9949
PNG
((8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
Show InChI InChI=1S/C22H30O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h8,10,13-14,16-18H,4-7,9,11-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1
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 7 -48.4 60n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9953
PNG
((8R)-8-heptyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
Show InChI InChI=1S/C26H38O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,17-18,20-22H,4-11,13,15-16H2,1-3H3/t18-,20?,21?,22?,25?,26?/m1/s1
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 7.80 -48.1 60n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9952
PNG
((8R)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
Show InChI InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19?,20?,21?,24?,25?/m1/s1
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 8 -48.1 76n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243728
PNG
((7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1...)
Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Show InChI InChI=1S/C23H30N2O2/c1-16-5-2-3-7-19(16)20-10-12-25(15-22(20)27)14-17-8-9-18-6-4-11-24-23(18)21(26)13-17/h2-7,11,17,20-22,26-27H,8-10,12-15H2,1H3/t17-,20+,21+,22-/m1/s1
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 10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9944
PNG
((8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
Show InChI InChI=1S/C24H34O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,15-16,18-20H,4-9,11,13-14H2,1-3H3/t16-,18?,19?,20?,23?,24?/m0/s1
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 11 -47.3 140n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244336
PNG
((6R,8S)-6-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)CC1 |r|
Show InChI InChI=1S/C22H28N2O/c1-16-5-2-3-7-20(16)18-8-11-24(12-9-18)15-17-13-19-6-4-10-23-22(19)21(25)14-17/h2-7,10,17-18,21,25H,8-9,11-15H2,1H3/t17-,21+/m1/s1
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 11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243887
PNG
((-)-(3R,4R)-4-(2-Chloro-4-fluorophenyl)-3-hydroxy-...)
Show SMILES O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C21H24ClFN2O2/c22-18-10-15(23)3-4-16(18)17-5-7-25(12-20(17)27)11-13-8-14-2-1-6-24-21(14)19(26)9-13/h1-4,6,10,13,17,19-20,26-27H,5,7-9,11-12H2/t13-,17-,19+,20+/m1/s1
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 11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9967
PNG
((8S)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m0/s1
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 12 -47.0 120n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9970
PNG
((8R)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m1/s1
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 12n/a 130n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50332807
PNG
((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8|
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot

J Med Chem 37: 2198-205 (1994)


BindingDB Entry DOI: 10.7270/Q22F7MG3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9956
PNG
((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
Show InChI InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,20?,21?/m0/s1
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 14 -46.6 110n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9950
PNG
((8R)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1
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 14 -46.6 180n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9943
PNG
((8S)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1
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 16 -46.3 200n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244334
PNG
((7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
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 17n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244334
PNG
((7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
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 17n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9966
PNG
((8S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}....)
Show SMILES CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14?,15?,16?,18-,20?,21?/m0/s1
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 18 -46.0 160n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244295
PNG
((-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244295
PNG
((-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9941
PNG
((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m0/s1
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 19 -45.8 250n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9946
PNG
((8S)-8-heptyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
Show InChI InChI=1S/C26H38O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,17-18,20-22H,4-11,13,15-16H2,1-3H3/t18-,20?,21?,22?,25?,26?/m0/s1
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 20 -45.7 250n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8592
PNG
((2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
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 20 -45.7 300n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aromatase


(Homo sapiens (Human))		BDBM50025428
PNG
(10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dode...)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O |t:8|
Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3
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 20n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot

J Med Chem 37: 2198-205 (1994)


BindingDB Entry DOI: 10.7270/Q22F7MG3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244372
PNG
((7R,9S)-7-((4-o-tolylpiperazin-1-yl)methyl)-6,7,8,...)
Show SMILES Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C22H29N3O/c1-17-5-2-3-7-20(17)25-13-11-24(12-14-25)16-18-8-9-19-6-4-10-23-22(19)21(26)15-18/h2-7,10,18,21,26H,8-9,11-16H2,1H3/t18-,21+/m1/s1
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 20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9965
PNG
((8S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18?,19?/m0/s1
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 21 -45.6 190n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50243886
PNG
((6R,8S)-6-(((3R,4R)-4-(4-fluoro-2-methylphenyl)-3-...)
Show SMILES Cc1cc(F)ccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Show InChI InChI=1S/C22H27FN2O2/c1-14-9-17(23)4-5-18(14)19-6-8-25(13-21(19)27)12-15-10-16-3-2-7-24-22(16)20(26)11-15/h2-5,7,9,15,19-21,26-27H,6,8,10-13H2,1H3/t15-,19-,20+,21+/m1/s1
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 21n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9942
PNG
((8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
Show InChI InChI=1S/C22H30O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h8,10,13-14,16-18H,4-7,9,11-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m0/s1
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 22 -45.5 270n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9969
PNG
((8R)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}....)
Show SMILES CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14?,15?,16?,18-,20?,21?/m1/s1
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 24n/a 260n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9945
PNG
((8S)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
Show InChI InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19?,20?,21?,24?,25?/m0/s1
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 25 -45.1 280n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244335
PNG
((3R)-3-{[4-(2-methylphenyl)piperidin-1-yl]methyl}-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-19-5-2-3-7-23(19)21-10-13-27(14-11-21)18-20-8-9-22-6-4-12-26-24(22)25(17-20)28-15-16-29-25/h2-7,12,20-21H,8-11,13-18H2,1H3/t20-/m1/s1
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 25n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9957
PNG
((8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
Show InChI InChI=1S/C22H34O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-19H,4-7,9-14H2,1-3H3/t15-,16?,18?,19?,21?,22?/m0/s1
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 30 -44.7 230n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244373
PNG
((7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H28N2O/c25-21-15-17(8-9-20-7-4-12-23-22(20)21)16-24-13-10-19(11-14-24)18-5-2-1-3-6-18/h1-7,12,17,19,21,25H,8-11,13-16H2/t17-,21+/m1/s1
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 30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9961
PNG
((8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
Show InChI InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,20?,21?/m1/s1
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 43 -43.7 320n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9947
PNG
((8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11-12,14-16H,4-5,7,9-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m1/s1
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 43 -43.7 520n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9954
PNG
(1,4-Androsten-3,17-dione | 2,15-dimethyltetracyclo...)
Show SMILES CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O |c:12,t:8|
Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3
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 43 -43.7 530n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9982
PNG
((14S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,...)
Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O |r,t:8|
Show InChI InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14?,15?,16?,17-,18?,19?/m0/s1
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 45n/a 360n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM50244333
PNG
((R)-7-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,8-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 |r|
Show InChI InChI=1S/C23H28N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19H,8-11,13-16H2,1H3/t18-/m1/s1
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 49n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells

J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9962
PNG
((8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
Show InChI InChI=1S/C22H34O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-19H,4-7,9-14H2,1-3H3/t15-,16?,18?,19?,21?,22?/m1/s1
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 51 -43.3 440n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...

J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
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