Found 2289 hits with Last Name = 'gavai' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50106836
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| Show InChI InChI=1S/C17H15F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h2-5,7,10,12,15H,6,9H2,1H3/t10-,12+,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| Show InChI InChI=1S/C17H17F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h3,5,7,10,12,15H,2,4,6,9H2,1H3/t10-,12+,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| Show InChI InChI=1S/C18H18F3N3O3S/c1-23-16(25)17-12-4-2-10(6-12)15(17)9-24(28(17,26)27)13-5-3-11(8-22)14(7-13)18(19,20)21/h3,5,7,10,12,15H,2,4,6,9H2,1H3,(H,23,25)/t10-,12+,15-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h3-4,6,9-10,13,15H,1-2,5,8H2/t9-,10+,13-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50214244
(CHEMBL250978 | N-(5-((R)-4-((R)-1-(3,4-dimethoxyph...)Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)CC(=O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H32N2O7S/c1-35-26-12-10-19(15-27(26)36-2)22(13-18-7-5-4-6-8-18)28-17-21(30)16-25(32)20-9-11-24(31)23(14-20)29-37(3,33)34/h4-12,14-15,21-22,28-31H,13,16-17H2,1-3H3/t21-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204246
(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| Show InChI InChI=1S/C17H16F3N3O3S/c18-17(19,20)13-6-12(4-2-10(13)7-21)23-8-14-9-1-3-11(5-9)16(14,15(22)24)27(23,25)26/h2,4,6,9,11,14H,1,3,5,8H2,(H2,22,24)/t9-,11+,14-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-13-4-10(5-15(13)23)14(16)8-22(26(16,24)25)11-3-2-9(7-21)12(6-11)17(18,19)20/h2-3,6,10,13-15,23H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323038
(4-[(1S,2S,6R,7R)-9-(6-Chloro-pyrimidin-4-yl)-1,7-d...)Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cc(Cl)ncn1 |r| Show InChI InChI=1S/C22H17ClF3N5O3/c1-20-8-30(15-6-14(23)28-10-29-15)9-21(2,34-20)17-16(20)18(32)31(19(17)33)12-4-3-11(7-27)13(5-12)22(24,25)26/h3-6,10,32-33H,8-9H2,1-2H3/t20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323017
(4-((1S,2S,6R,7R)-9-Methoxy-1,7-dimethyl-3,5-dioxo-...)Show SMILES CON1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O4/c1-17-8-24(28-3)9-18(2,29-17)14-13(17)15(26)25(16(14)27)11-5-4-10(7-23)12(6-11)19(20,21)22/h4-6,26-27H,8-9H2,1-3H3/t17-,18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204242
(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| Show InChI InChI=1S/C18H17F4N3O3S/c1-24-16(26)17-13-4-10(5-15(13)19)14(17)8-25(29(17,27)28)11-3-2-9(7-23)12(6-11)18(20,21)22/h2-3,6,10,13-15H,4-5,8H2,1H3,(H,24,26)/t10-,13+,14+,15+,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50214246
(CHEMBL401135 | N-(5-((R)-4-((R)-1-(4-(difluorometh...)Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(=O)C[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C26H28F2N2O6S/c1-37(34,35)30-23-14-19(9-12-24(23)32)25(33)15-20(31)16-29-22(13-17-5-3-2-4-6-17)18-7-10-21(11-8-18)36-26(27)28/h2-12,14,20,22,26,29-32H,13,15-16H2,1H3/t20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323023
((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...)Show SMILES CCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O5/c1-4-31-18(30)26-9-19(2)14-15(20(3,10-26)32-19)17(29)27(16(14)28)12-6-5-11(8-25)13(7-12)21(22,23)24/h5-7,28-29H,4,9-10H2,1-3H3/t19-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214213
(CHEMBL399329 | N-(5-((S)-3-((R)-1-(3,4-dimethoxyph...)Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214234
(CHEMBL250755 | N-(5-((S)-3-((R)-2-(3-chlorophenyl)...)Show SMILES COc1ccc(cc1OC)[C@@H](Cc1cccc(Cl)c1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-10-8-19(15-26(25)35-2)22(13-17-5-4-6-20(27)11-17)28-16-21(30)12-18-7-9-24(31)23(14-18)29-36(3,32)33/h4-11,14-15,21-22,28-31H,12-13,16H2,1-3H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323039
(4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-pyrimidi...)Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1ncccn1 |r| Show InChI InChI=1S/C22H18F3N5O3/c1-20-10-29(19-27-6-3-7-28-19)11-21(2,33-20)16-15(20)17(31)30(18(16)32)13-5-4-12(9-26)14(8-13)22(23,24)25/h3-8,31-32H,10-11H2,1-2H3/t20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323024
((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...)Show SMILES CCCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-4-7-32-19(31)27-10-20(2)15-16(21(3,11-27)33-20)18(30)28(17(15)29)13-6-5-12(9-26)14(8-13)22(23,24)25/h5-6,8,29-30H,4,7,10-11H2,1-3H3/t20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214242
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214240
((R)-N-(2-hydroxy-5-(1-hydroxy-2-(2-(4-methoxypheny...)Show SMILES COc1ccc(cc1)C(C)(C)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C19H26N2O5S/c1-19(2,14-6-8-15(26-3)9-7-14)20-12-18(23)13-5-10-17(22)16(11-13)21-27(4,24)25/h5-11,18,20-23H,12H2,1-4H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214248
(CHEMBL437578 | N-(5-((S)-3-((R)-2-(2-chlorophenyl)...)Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1Cl)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-11-9-19(15-26(25)35-2)22(14-18-6-4-5-7-21(18)27)28-16-20(30)12-17-8-10-24(31)23(13-17)29-36(3,32)33/h4-11,13,15,20,22,28-31H,12,14,16H2,1-3H3/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204249
(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| Show InChI InChI=1S/C17H15F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14H,4-5,8H2,1H3/t11-,12-,14+,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50204250
(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| Show InChI InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50214237
(CHEMBL400947 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)Show SMILES COc1ccc(cc1O)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C25H30N2O6S/c1-33-25-11-9-19(15-24(25)30)21(13-17-6-4-3-5-7-17)26-16-20(28)12-18-8-10-23(29)22(14-18)27-34(2,31)32/h3-11,14-15,20-21,26-30H,12-13,16H2,1-2H3/t20-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50148497
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323035
(3-[(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phen...)Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C25H21F3N4O4/c1-23-11-31(15-5-3-4-13(8-15)20(30)33)12-24(2,36-23)19-18(23)21(34)32(22(19)35)16-7-6-14(10-29)17(9-16)25(26,27)28/h3-9,34-35H,11-12H2,1-2H3,(H2,30,33)/t23-,24+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214228
(CHEMBL400067 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H34N2O6S/c1-34-26-14-11-21(17-27(26)35-2)23(12-9-19-7-5-4-6-8-19)28-18-22(30)15-20-10-13-25(31)24(16-20)29-36(3,32)33/h4-8,10-11,13-14,16-17,22-23,28-31H,9,12,15,18H2,1-3H3/t22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50106833
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50214225
(CHEMBL398557 | N-(5-((S)-3-((S)-1-(3,4-dimethoxyph...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323037
(4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-...)Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H22F3N3O5S/c1-23-12-30(15-5-4-6-17(9-15)37(3,34)35)13-24(2,36-23)20-19(23)21(32)31(22(20)33)16-8-7-14(11-29)18(10-16)25(26,27)28/h4-10,32-33H,12-13H2,1-3H3/t23-,24+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323025
((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...)Show SMILES CC(C)OC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-11(2)32-19(31)27-9-20(3)15-16(21(4,10-27)33-20)18(30)28(17(15)29)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,29-30H,9-10H2,1-4H3/t20-,21+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50148487
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50106810
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323032
(4-[(1R,2R,6S,7S)-3,5-dioxo-9-(phenylsulfonyl)-11-o...)Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H20F3N3O5S/c1-22-12-29(36(33,34)16-6-4-3-5-7-16)13-23(2,35-22)19-18(22)20(31)30(21(19)32)15-9-8-14(11-28)17(10-15)24(25,26)27/h3-10,31-32H,12-13H2,1-2H3/t22-,23+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50214227
(CHEMBL251764 | N-(5-((R)-3-((S)-3-(4-chlorophenyl)...)Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-8-20(16-27(26)36-2)23(11-6-18-4-9-21(28)10-5-18)29-17-22(31)14-19-7-12-25(32)24(15-19)30-37(3,33)34/h4-5,7-10,12-13,15-16,22-23,29-32H,6,11,14,17H2,1-3H3/t22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204248
(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| Show InChI InChI=1S/C16H13F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h1-4,6,9-10,13,15H,5,8H2/t9-,10+,13-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323015
(4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...)Show SMILES CC(C)N1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O5/c1-9(2)26-17(30)19(3)13-14(20(4,32-19)18(26)31)16(29)27(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50148484
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323018
(4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-propyl-1...)Show SMILES CCCN1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O3/c1-4-7-26-10-19(2)15-16(20(3,11-26)30-19)18(29)27(17(15)28)13-6-5-12(9-25)14(8-13)21(22,23)24/h5-6,8,28-29H,4,7,10-11H2,1-3H3/t19-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50106825
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323031
(4-((1S,2S,6R,7R)-9-Ethanesulfonyl-1,7-dimethyl-3,5...)Show SMILES CCS(=O)(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O5S/c1-4-32(29,30)25-9-18(2)14-15(19(3,10-25)31-18)17(28)26(16(14)27)12-6-5-11(8-24)13(7-12)20(21,22)23/h5-7,27-28H,4,9-10H2,1-3H3/t18-,19+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50148486
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50214233
(CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...)Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Show InChI InChI=1S/C26H28F4N2O6S/c1-39(35,36)32-21-13-17(7-9-22(21)34)11-19(33)15-31-20(12-16-5-3-2-4-6-16)18-8-10-23(37-25(27)28)24(14-18)38-26(29)30/h2-10,13-14,19-20,25-26,31-34H,11-12,15H2,1H3/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4290-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50106823
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323012
(2-Trifluoromethyl-4-((1S,2S,6R,7R)-1,7,9-trimethyl...)Show SMILES CN1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C19H14F3N3O5/c1-17-11-12(18(2,30-17)16(29)24(3)15(17)28)14(27)25(13(11)26)9-5-4-8(7-23)10(6-9)19(20,21)22/h4-6,26-27H,1-3H3/t17-,18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50323011
(4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-11-oxa-4,9...)Show SMILES C[C@@]12CNC[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F3N3O3/c1-16-7-23-8-17(2,27-16)13-12(16)14(25)24(15(13)26)10-4-3-9(6-22)11(5-10)18(19,20)21/h3-5,23,25-26H,7-8H2,1-2H3/t16-,17+ | PDB
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Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells |
Bioorg Med Chem Lett 20: 4491-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH |
More data for this
Ligand-Target Pair | |
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