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Compile Data Set for Download or QSAR

Found 1575 hits with Last Name = 'gavai' and Initial = 'av'   
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
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106836
PNG
(CHEMBL105758 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)c2ccccc12
Show InChI InChI=1S/C28H28F2N2O5S/c1-38(35,36)32-24-16-19(11-13-25(24)33)26(34)17-31-23(15-18-7-3-2-4-8-18)21-12-14-27(37-28(29)30)22-10-6-5-9-20(21)22/h2-14,16,23,26,28,31-34H,15,17H2,1H3/t23-,26+/m1/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204245
PNG
(CHEMBL3898284)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5|
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204251
PNG
(CHEMBL3921315)
Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204247
PNG
(CHEMBL3920247)
Show SMILES [H][C@]12C[C@H](O)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204246
PNG
(CHEMBL3893320)
Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(N)=O)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204243
PNG
(CHEMBL3926358)
Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204241
PNG
(CHEMBL3917372)
Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204242
PNG
(CHEMBL3902310)
Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204249
PNG
(CHEMBL3935242)
Show SMILES [H][C@]12CC[C@]([H])(C1=O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10|
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106852
PNG
(CHEMBL321518 | N-{5-[(R)-2-((R)-1-Benzo[1,3]dioxol...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N2O6S/c1-33(29,30)26-20-12-18(7-9-21(20)27)22(28)14-25-19(11-16-5-3-2-4-6-16)17-8-10-23-24(13-17)32-15-31-23/h2-10,12-13,19,22,25-28H,11,14-15H2,1H3/t19-,22+/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204250
PNG
(CHEMBL3949176)
Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148497
PNG
((S)-N-(4-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O6S/c1-25(17-5-11-20(35-2)12-6-17,24(32)28-19-9-7-18(26)8-10-19)27-15-23(31)16-4-13-22(30)21(14-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106833
PNG
(CHEMBL317648 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES C[C@](Cc1ccccc1)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H28F2N2O5S/c1-25(15-17-6-4-3-5-7-17,19-9-11-20(12-10-19)34-24(26)27)28-16-23(31)18-8-13-22(30)21(14-18)29-35(2,32)33/h3-14,23-24,28-31H,15-16H2,1-2H3/t23-,25+/m0/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148487
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C27H30N4O6S2/c1-16-29-22-14-19(8-12-25(22)38-16)30-26(34)27(2,18-6-9-20(37-3)10-7-18)28-15-24(33)17-5-11-23(32)21(13-17)31-39(4,35)36/h5-14,24,28,31-33H,15H2,1-4H3,(H,30,34)/t24-,27-/m0/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106810
PNG
(CHEMBL317621 | N-(5-((R)-2-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-24-12-10-18(15-25(24)33-2)20(13-17-7-5-4-6-8-17)26-16-23(29)19-9-11-22(28)21(14-19)27-34(3,30)31/h4-12,14-15,20,23,26-29H,13,16H2,1-3H3/t20-,23+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204248
PNG
(CHEMBL3987109)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5|
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148484
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H33N3O7S/c1-31(22-10-14-24(40-2)15-11-22,32-20-29(36)21-9-18-28(35)27(19-21)34-42(3,38)39)30(37)33-23-12-16-26(17-13-23)41-25-7-5-4-6-8-25/h4-19,29,32,34-36H,20H2,1-3H3,(H,33,37)/t29-,31-/m0/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106825
PNG
(CHEMBL102611 | N-(5-{(R)-2-[(R)-1-(2,6-Dimethoxy-p...)
Show SMILES COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)n1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23-12-10-18(24(26-23)33-2)19(13-16-7-5-4-6-8-16)25-15-22(29)17-9-11-21(28)20(14-17)27-34(3,30)31/h4-12,14,19,22,25,27-29H,13,15H2,1-3H3/t19-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148486
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C26H31N3O7S/c1-26(18-6-10-20(35-2)11-7-18,25(32)28-19-8-12-21(36-3)13-9-19)27-16-24(31)17-5-14-23(30)22(15-17)29-37(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148507
PNG
((S)-N-(3-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O6S/c1-25(17-8-10-20(35-2)11-9-17,24(32)28-19-6-4-5-18(26)14-19)27-15-23(31)16-7-12-22(30)21(13-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148520
PNG
((S)-N-(3-Bromo-phenyl)-2-[2-hydroxy-2-((R)-4-hydro...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C25H28BrN3O6S/c1-25(17-8-10-20(35-2)11-9-17,24(32)28-19-6-4-5-18(26)14-19)27-15-23(31)16-7-12-22(30)21(13-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106823
PNG
(CHEMBL102222 | N-(5-{(R)-2-[1,1-Bis-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C(C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H30N2O6S/c1-25(18-6-10-20(32-2)11-7-18,19-8-12-21(33-3)13-9-19)26-16-24(29)17-5-14-23(28)22(15-17)27-34(4,30)31/h5-15,24,26-29H,16H2,1-4H3/t24-/m0/s1
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148504
PNG
(4-[(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulf...)
Show SMILES CCCNC(=O)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C29H36N4O7S/c1-5-16-30-27(36)19-6-11-22(12-7-19)32-28(37)29(2,21-9-13-23(40-3)14-10-21)31-18-26(35)20-8-15-25(34)24(17-20)33-41(4,38)39/h6-15,17,26,31,33-35H,5,16,18H2,1-4H3,(H,30,36)(H,32,37)/t26-,29-/m0/s1
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106829
PNG
(BMS-196085 | CHEMBL322862 | N-(5-((R)-2-((R)-1-(4-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148521
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-25(17-5-11-20(35-2)12-6-17,24(32)27-18-7-9-19(29)10-8-18)26-15-23(31)16-4-13-22(30)21(14-16)28-36(3,33)34/h4-14,23,26,28-31H,15H2,1-3H3,(H,27,32)/t23-,25-/m0/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148525
PNG
((S)-N-(3,4-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-25(16-5-8-18(36-2)9-6-16,24(33)29-17-7-10-19(26)20(27)13-17)28-14-23(32)15-4-11-22(31)21(12-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106841
PNG
(CHEMBL102580 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[(R...)
Show SMILES COc1ccc(cn1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H27N3O5S/c1-31-23-11-9-18(14-25-23)19(12-16-6-4-3-5-7-16)24-15-22(28)17-8-10-21(27)20(13-17)26-32(2,29)30/h3-11,13-14,19,22,24,26-28H,12,15H2,1-2H3/t19-,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106835
PNG
(CHEMBL317920 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[(R...)
Show SMILES COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccccc12
Show InChI InChI=1S/C28H30N2O5S/c1-35-28-15-13-22(21-10-6-7-11-23(21)28)24(16-19-8-4-3-5-9-19)29-18-27(32)20-12-14-26(31)25(17-20)30-36(2,33)34/h3-15,17,24,27,29-32H,16,18H2,1-2H3/t24-,27+/m1/s1
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26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204240
PNG
(CHEMBL3939272)
Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(C1)[C@]1([H])CN(c3ccc(C#N)c(c3)C(F)(F)F)S(=O)(=O)[C@]21C |r|
PDB
MMDB

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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148496
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C26H31N3O6S/c1-17-5-10-20(11-6-17)28-25(32)26(2,19-8-12-21(35-3)13-9-19)27-16-24(31)18-7-14-23(30)22(15-18)29-36(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106793
PNG
(CHEMBL102891 | N-(5-{2-[1-(3,4-Dimethoxy-phenyl)-2...)
Show SMILES COc1ccc(cc1OC)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-24-12-10-18(15-25(24)33-2)20(13-17-7-5-4-6-8-17)26-16-23(29)19-9-11-22(28)21(14-19)27-34(3,30)31/h4-12,14-15,20,23,26-29H,13,16H2,1-3H3
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148514
PNG
((S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C25H27N3O8S/c1-34-18-7-3-15(4-8-18)24(25(31)27-17-6-10-22-23(12-17)36-14-35-22)26-13-21(30)16-5-9-20(29)19(11-16)28-37(2,32)33/h3-12,21,24,26,28-30H,13-14H2,1-2H3,(H,27,31)/t21-,24-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106849
PNG
(CHEMBL319687 | N-(5-{(R)-2-[(R)-1-(3,4-Bis-difluor...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H26F4N2O6S/c1-38(34,35)31-19-12-17(7-9-20(19)32)21(33)14-30-18(11-15-5-3-2-4-6-15)16-8-10-22(36-24(26)27)23(13-16)37-25(28)29/h2-10,12-13,18,21,24-25,30-33H,11,14H2,1H3/t18-,21+/m1/s1
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106844
PNG
(CHEMBL431638 | N-{2-Hydroxy-5-[(R)-1-hydroxy-2-((R...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C27H28N2O4S/c1-34(32,33)29-25-17-21(14-15-26(25)30)27(31)18-28-24(16-19-8-3-2-4-9-19)23-13-7-11-20-10-5-6-12-22(20)23/h2-15,17,24,27-31H,16,18H2,1H3/t24-,27+/m1/s1
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43n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106801
PNG
(CHEMBL102928 | N-(2-Hydroxy-5-{1-hydroxy-2-[1-(4-m...)
Show SMILES COc1ccc(cc1)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H28N2O5S/c1-31-20-11-8-18(9-12-20)21(14-17-6-4-3-5-7-17)25-16-24(28)19-10-13-23(27)22(15-19)26-32(2,29)30/h3-13,15,21,24-28H,14,16H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148493
PNG
((R)-N-((R)-2-Hydroxy-5-{1-hydroxy-2-[(R)-1-(4-meth...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H28N2O5S/c1-31-20-11-8-18(9-12-20)21(14-17-6-4-3-5-7-17)25-16-24(28)19-10-13-23(27)22(15-19)26-32(2,29)30/h3-13,15,21,24-28H,14,16H2,1-2H3/t21-,24+/m1/s1
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106801
PNG
(CHEMBL102928 | N-(2-Hydroxy-5-{1-hydroxy-2-[1-(4-m...)
Show SMILES COc1ccc(cc1)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H28N2O5S/c1-31-20-11-8-18(9-12-20)21(14-17-6-4-3-5-7-17)25-16-24(28)19-10-13-23(27)22(15-19)26-32(2,29)30/h3-13,15,21,24-28H,14,16H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148510
PNG
((S)-N-(3,4-Dimethoxy-phenyl)-2-[2-hydroxy-2-((R)-4...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H33N3O8S/c1-27(18-7-10-20(36-2)11-8-18,26(33)29-19-9-13-24(37-3)25(15-19)38-4)28-16-23(32)17-6-12-22(31)21(14-17)30-39(5,34)35/h6-15,23,28,30-32H,16H2,1-5H3,(H,29,33)/t23-,27-/m0/s1
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148523
PNG
((S)-N-(4-Chloro-2-fluoro-phenyl)-2-[2-hydroxy-2-((...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1F
Show InChI InChI=1S/C25H27ClFN3O6S/c1-25(16-5-8-18(36-2)9-6-16,24(33)29-20-10-7-17(26)13-19(20)27)28-14-23(32)15-4-11-22(31)21(12-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/s1
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47n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50204244
PNG
(CHEMBL3907304)
Show SMILES [H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10|
PDB
MMDB

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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 26: 5707-5711 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148511
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C25H26Cl3N3O6S/c1-25(15-5-7-17(37-2)8-6-15,24(34)30-16-11-18(26)23(28)19(27)12-16)29-13-22(33)14-4-9-21(32)20(10-14)31-38(3,35)36/h4-12,22,29,31-33H,13H2,1-3H3,(H,30,34)/t22-,25-/m0/s1
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51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148524
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C26H31N3O6S/c1-17-6-5-7-20(14-17)28-25(32)26(2,19-9-11-21(35-3)12-10-19)27-16-24(31)18-8-13-23(30)22(15-18)29-36(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106839
PNG
(CHEMBL104905 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES Cc1cc(ccc1OC(F)F)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H28F2N2O5S/c1-16-12-18(9-11-24(16)34-25(26)27)20(13-17-6-4-3-5-7-17)28-15-23(31)19-8-10-22(30)21(14-19)29-35(2,32)33/h3-12,14,20,23,25,28-31H,13,15H2,1-2H3/t20-,23+/m1/s1
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106850
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C24H27N3O5S/c1-33(31,32)27-21-14-19(11-12-22(21)28)23(29)15-26-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(25)30/h2-12,14,20,23,26-29H,13,15H2,1H3,(H2,25,30)/t20-,23+/m1/s1
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106807
PNG
(CHEMBL103147 | N-(5-{2-[1-(2,4-Dimethoxy-phenyl)-2...)
Show SMILES COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-19-10-11-20(25(15-19)33-2)21(13-17-7-5-4-6-8-17)26-16-24(29)18-9-12-23(28)22(14-18)27-34(3,30)31/h4-12,14-15,21,24,26-29H,13,16H2,1-3H3
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106843
PNG
(CHEMBL105475 | N-(5-{(R)-2-[1-(4-Benzyloxy-phenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H32N2O5S/c1-38(35,36)32-28-19-25(14-17-29(28)33)30(34)20-31-27(18-22-8-4-2-5-9-22)24-12-15-26(16-13-24)37-21-23-10-6-3-7-11-23/h2-17,19,27,30-34H,18,20-21H2,1H3/t27?,30-/m0/s1
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148513
PNG
((S)-N-(3,5-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-25(16-5-7-20(36-2)8-6-16,24(33)29-19-12-17(26)11-18(27)13-19)28-14-23(32)15-4-9-22(31)21(10-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/s1
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106851
PNG
(2-(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanes...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C25H29N3O5S/c1-34(32,33)28-22-15-20(11-12-23(22)29)24(30)16-27-21(13-17-5-3-2-4-6-17)19-9-7-18(8-10-19)14-25(26)31/h2-12,15,21,24,27-30H,13-14,16H2,1H3,(H2,26,31)/t21-,24+/m1/s1
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74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148502
PNG
((R)-(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesul...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H27N3O6S/c1-33-19-11-8-16(9-12-19)23(24(30)26-18-6-4-3-5-7-18)25-15-22(29)17-10-13-21(28)20(14-17)27-34(2,31)32/h3-14,22-23,25,27-29H,15H2,1-2H3,(H,26,30)/t22-,23-/m0/s1
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106820
PNG
((R)-N-(5-(2-(bis(4-methoxyphenyl)methylamino)-1-hy...)
Show SMILES COc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-19-9-4-16(5-10-19)24(17-6-11-20(32-2)12-7-17)25-15-23(28)18-8-13-22(27)21(14-18)26-33(3,29)30/h4-14,23-28H,15H2,1-3H3/t23-/m0/s1
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81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
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