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Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'dang' and Initial = 't'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50065353
PNG
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)
Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,21-,22+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor mu 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054245
PNG
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50065353
PNG
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)
Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,21-,22+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor delta 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor delta 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410281
PNG
(CHEMBL2094063)
Show SMILES CCCC[C@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3/t21-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162472
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O/c1-5-7-13-21(18-11-9-8-10-12-18)29(16-6-2)24-26-23(28(3)27-24)20-15-14-19(25)17-22(20)30-4/h8-12,14-15,17,21H,5-7,13,16H2,1-4H3
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410280
PNG
(CHEMBL2094043)
Show SMILES CCCN([C@@H](CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 |r|
Show InChI InChI=1S/C23H26ClF3N4O/c1-5-13-31(19(6-2)15-7-9-16(10-8-15)23(25,26)27)22-28-21(30(3)29-22)18-12-11-17(24)14-20(18)32-4/h7-12,14,19H,5-6,13H2,1-4H3/t19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410278
PNG
(CHEMBL2093962)
Show SMILES CCCC[C@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3/t23-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162458
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C23H29ClN4O/c1-5-10-20(17-11-8-7-9-12-17)28(15-6-2)23-25-22(27(3)26-23)19-14-13-18(24)16-21(19)29-4/h7-9,11-14,16,20H,5-6,10,15H2,1-4H3
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6.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162472
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O/c1-5-7-13-21(18-11-9-8-10-12-18)29(16-6-2)24-26-23(28(3)27-24)20-15-14-19(25)17-22(20)30-4/h8-12,14-15,17,21H,5-7,13,16H2,1-4H3
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6.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162452
PNG
(CHEMBL426419 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1
Show InChI InChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3
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6.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162462
PNG
(CHEMBL362453 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3
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7.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410279
PNG
(CHEMBL2094044)
Show SMILES CCC[C@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N4O/c1-6-11-22(19-12-9-8-10-13-19)28(16-7-2)24-25-23(27(4)26-24)21-15-14-20(29-5)17-18(21)3/h8-10,12-15,17,22H,6-7,11,16H2,1-5H3/t22-/m0/s1
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107083
PNG
(CHEMBL110609 | [5-(2,4-Dichloro-phenyl)-1-methyl-1...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1
Show InChI InChI=1S/C19H24Cl2N4/c1-3-10-25(17(12-4-5-12)13-6-7-13)19-22-18(24(2)23-19)15-9-8-14(20)11-16(15)21/h8-9,11-13,17H,3-7,10H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162470
PNG
(CHEMBL178117 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(OC)cc2C)n(C)n1
Show InChI InChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3
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11.7n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162476
PNG
(CHEMBL178735 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C23H26ClF3N4O/c1-5-13-31(19(6-2)15-7-9-16(10-8-15)23(25,26)27)22-28-21(30(3)29-22)18-12-11-17(24)14-20(18)32-4/h7-12,14,19H,5-6,13H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162470
PNG
(CHEMBL178117 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(OC)cc2C)n(C)n1
Show InChI InChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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14n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor mu 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162458
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C23H29ClN4O/c1-5-10-20(17-11-8-7-9-12-17)28(15-6-2)23-25-22(27(3)26-23)19-14-13-18(24)16-21(19)29-4/h7-9,11-14,16,20H,5-6,10,15H2,1-4H3
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162454
PNG
((S)-[5-(2-Chloro-4,5-dimethoxy-phenyl)-1-methyl-1H...)
Show SMILES CCCC(N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O2/c1-6-11-20(17-12-9-8-10-13-17)29(14-7-2)24-26-23(28(3)27-24)18-15-21(30-4)22(31-5)16-19(18)25/h8-10,12-13,15-16,20H,6-7,11,14H2,1-5H3
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16.3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor mu 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162457
PNG
(CHEMBL179647 | [5-(2,4-Dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H32N4O2/c1-6-11-21(18-12-9-8-10-13-18)28(16-7-2)24-25-23(27(3)26-24)20-15-14-19(29-4)17-22(20)30-5/h8-10,12-15,17,21H,6-7,11,16H2,1-5H3
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22n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162474
PNG
(CHEMBL179540 | [5-(2,4-Dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C25H33FN4O2/c1-6-8-9-22(18-10-12-19(26)13-11-18)30(16-7-2)25-27-24(29(3)28-25)21-15-14-20(31-4)17-23(21)32-5/h10-15,17,22H,6-9,16H2,1-5H3
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162465
PNG
(CHEMBL433940 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccccc1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C22H27ClN4O/c1-5-14-27(19(6-2)16-10-8-7-9-11-16)22-24-21(26(3)25-22)18-13-12-17(23)15-20(18)28-4/h7-13,15,19H,5-6,14H2,1-4H3
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26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107069
PNG
(CHEMBL107786 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C20H27ClN4O/c1-4-11-25(18(13-5-6-13)14-7-8-14)20-22-19(24(2)23-20)16-10-9-15(21)12-17(16)26-3/h9-10,12-14,18H,4-8,11H2,1-3H3
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28n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162459
PNG
(CHEMBL362847 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCCC(CC)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C20H31ClN4O/c1-6-9-10-16(8-3)25(13-7-2)20-22-19(24(4)23-20)17-12-11-15(21)14-18(17)26-5/h11-12,14,16H,6-10,13H2,1-5H3
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46n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410282
PNG
(CHEMBL2093960)
Show SMILES CCCC[C@@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3/t21-/m1/s1
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46n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410277
PNG
(CHEMBL2093961)
Show SMILES CCC[C@@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N4O/c1-6-11-22(19-12-9-8-10-13-19)28(16-7-2)24-25-23(27(4)26-24)21-15-14-20(29-5)17-18(21)3/h8-10,12-15,17,22H,6-7,11,16H2,1-5H3/t22-/m1/s1
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51n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162463
PNG
(CHEMBL175902 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H32N4O/c1-6-11-22(19-12-9-8-10-13-19)28(16-7-2)24-25-23(27(4)26-24)21-15-14-20(29-5)17-18(21)3/h8-10,12-15,17,22H,6-7,11,16H2,1-5H3
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61n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107084
PNG
(CHEMBL106972 | [5-(2,4-Dichloro-phenyl)-1-ethyl-1H...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(CC)n1
Show InChI InChI=1S/C20H26Cl2N4/c1-3-11-25(18(13-5-6-13)14-7-8-14)20-23-19(26(4-2)24-20)16-10-9-15(21)12-17(16)22/h9-10,12-14,18H,3-8,11H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162454
PNG
((S)-[5-(2-Chloro-4,5-dimethoxy-phenyl)-1-methyl-1H...)
Show SMILES CCCC(N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O2/c1-6-11-20(17-12-9-8-10-13-17)29(14-7-2)24-26-23(28(3)27-24)18-15-21(30-4)22(31-5)16-19(18)25/h8-10,12-13,15-16,20H,6-7,11,14H2,1-5H3
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84n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162457
PNG
(CHEMBL179647 | [5-(2,4-Dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H32N4O2/c1-6-11-21(18-12-9-8-10-13-18)28(16-7-2)24-25-23(27(3)26-24)20-15-14-19(29-4)17-22(20)30-5/h8-10,12-15,17,21H,6-7,11,16H2,1-5H3
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162451
PNG
(CHEMBL178346 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCC(N(CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C21H25ClN4O/c1-5-18(15-10-8-7-9-11-15)26(6-2)21-23-20(25(3)24-21)17-13-12-16(22)14-19(17)27-4/h7-14,18H,5-6H2,1-4H3
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150n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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150n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor delta 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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260n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor kappa 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162469
PNG
(CHEMBL178667 | N-[5-(4-Chloro-2-methoxy-phenyl)-1-...)
Show SMILES CCCCC(CC)N(OCCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C20H31ClN4O2/c1-6-9-10-16(8-3)25(27-13-7-2)20-22-19(24(4)23-20)17-12-11-15(21)14-18(17)26-5/h11-12,14,16H,6-10,13H2,1-5H3
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280n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50065353
PNG
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)
Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,21-,22+/m0/s1
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340n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor kappa 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410276
PNG
(CHEMBL2094064)
Show SMILES CCCC[C@@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3/t23-/m1/s1
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350n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410275
PNG
(CHEMBL2093959)
Show SMILES CCCN([C@H](CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 |r|
Show InChI InChI=1S/C23H26ClF3N4O/c1-5-13-31(19(6-2)15-7-9-16(10-8-15)23(25,26)27)22-28-21(30(3)29-22)18-12-11-17(24)14-20(18)32-4/h7-12,14,19H,5-6,13H2,1-4H3/t19-/m1/s1
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428n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162467
PNG
(CHEMBL178618 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCCC(CC)N(CC1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C21H31ClN4O/c1-5-7-8-17(6-2)26(14-15-9-10-15)21-23-20(25(3)24-21)18-12-11-16(22)13-19(18)27-4/h11-13,15,17H,5-10,14H2,1-4H3
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440n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162453
PNG
(CHEMBL367789 | sec-Butyl-[5-(4-chloro-2-methoxy-ph...)
Show SMILES CCCN(C(C)CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C17H25ClN4O/c1-6-10-22(12(3)7-2)17-19-16(21(4)20-17)14-9-8-13(18)11-15(14)23-5/h8-9,11-12H,6-7,10H2,1-5H3
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690n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162466
PNG
(CHEMBL178702 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(C(C)C)C(C)C)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C20H31ClN4O/c1-8-11-25(18(13(2)3)14(4)5)20-22-19(24(6)23-20)16-10-9-15(21)12-17(16)26-7/h9-10,12-14,18H,8,11H2,1-7H3
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910n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162473
PNG
(CHEMBL178725 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(CC1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C17H23ClN4O/c1-4-9-22(11-12-5-6-12)17-19-16(21(2)20-17)14-8-7-13(18)10-15(14)23-3/h7-8,10,12H,4-6,9,11H2,1-3H3
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2.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107079
PNG
(CHEMBL431067 | [5-(2,4-Dichloro-phenyl)-1-methyl-1...)
Show SMILES CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1
Show InChI InChI=1S/C15H20Cl2N4/c1-4-8-21(9-5-2)15-18-14(20(3)19-15)12-7-6-11(16)10-13(12)17/h6-7,10H,4-5,8-9H2,1-3H3
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3.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107075
PNG
(CHEMBL175536 | [5-(2,4-Dichloro-phenyl)-1H-[1,2,4]...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H22Cl2N4/c1-2-9-24(16(11-3-4-11)12-5-6-12)18-21-17(22-23-18)14-8-7-13(19)10-15(14)20/h7-8,10-12,16H,2-6,9H2,1H3,(H,21,22,23)
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4.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor kappa 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor mu 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162450
PNG
(CHEMBL180381 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C16H23ClN4O/c1-5-9-21(10-6-2)16-18-15(20(3)19-16)13-8-7-12(17)11-14(13)22-4/h7-8,11H,5-6,9-10H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor delta 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107082
PNG
(CHEMBL321389 | [5-(2,4-Dichloro-phenyl)-2-methyl-2...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nc(nn1C)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H24Cl2N4/c1-3-10-25(17(12-4-5-12)13-6-7-13)19-22-18(23-24(19)2)15-9-8-14(20)11-16(15)21/h8-9,11-13,17H,3-7,10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
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