new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 533 hits with Last Name = 'obermeier' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (Human))
BDBM50372090
PNG
(CHEMBL403668)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3|
Show InChI InChI=1S/C17H15IN2O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-4-3-9(8-19)11(18)7-10/h3-4,7,21-22H,5-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50372078
PNG
(CHEMBL272574)
Show SMILES CC12C[C@@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:8.14,THB:12:14:7:2.3,9:8:7:2.3|
Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50372103
PNG
(CHEMBL402807)
Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(7.88,-13.23,;8.78,-12.29,;10.06,-12.46,;11.36,-11.72,;12.65,-12.28,;13.1,-11.18,;11.68,-10.45,;11.33,-9.07,;10.63,-11.29,;9.69,-10.39,;9.71,-9.09,;8.54,-11.01,;6.99,-10.97,;6.18,-12.3,;4.63,-12.26,;3.89,-10.89,;2.34,-10.85,;1.6,-9.49,;1.53,-12.17,;4.7,-9.57,;3.96,-8.22,;4.76,-6.91,;6.31,-6.94,;7.04,-8.3,;6.24,-9.61,)|
Show InChI InChI=1S/C18H14N2O5/c21-17-15-13-7-8-14(25-13)16(15)18(22)19(17)11-5-6-12(20(23)24)10-4-2-1-3-9(10)11/h1-6,13-14,21-22H,7-8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50372082
PNG
(CHEMBL446626)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c2nsnc12 |THB:11:13:6:2.3,8:7:6:2.3,(28.74,-48.8,;27.41,-49.58,;28.3,-50.89,;27.39,-51.64,;26.52,-50.54,;25.81,-51.91,;27.75,-48.2,;25.03,-50.57,;23.98,-49.8,;22.75,-50.2,;24.39,-48.57,;25.69,-48.58,;26.33,-47.45,;26.08,-49.81,;23.05,-47.8,;21.7,-48.58,;20.36,-47.8,;20.37,-46.25,;19.03,-45.49,;17.68,-44.73,;21.69,-45.47,;22.02,-43.95,;23.56,-43.79,;24.19,-45.21,;23.04,-46.25,)|
Show InChI InChI=1S/C17H14N4O3S/c1-16-5-6-17(2,24-16)11-10(16)14(22)21(15(11)23)9-4-3-8(7-18)12-13(9)20-25-19-12/h3-4,22-23H,5-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50372088
PNG
(CHEMBL257668)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cc(Cl)cc(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3|
Show InChI InChI=1S/C16H15Cl2NO3/c1-15-3-4-16(2,22-15)12-11(15)13(20)19(14(12)21)10-6-8(17)5-9(18)7-10/h5-7,20-21H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50372089
PNG
(CHEMBL272509)
Show SMILES CSc1cc(ccc1C#N)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:11:13:23:20.19,15:14:23:20.19|
Show InChI InChI=1S/C18H18N2O3S/c1-17-6-7-18(2,23-17)14-13(17)15(21)20(16(14)22)11-5-4-10(9-19)12(8-11)24-3/h4-5,8,21-22H,6-7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50323038
PNG
(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

Article
PubMed
3.5n/an/an/an/an/an/an/an/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
PNG
(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
Article
PubMed
3.70n/an/an/an/an/an/an/an/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))
BDBM50372086
PNG
(CHEMBL403213)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cnc(C#N)c(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3|
Show InChI InChI=1S/C16H14ClN3O3/c1-15-3-4-16(2,23-15)12-11(15)13(21)20(14(12)22)8-5-9(17)10(6-18)19-7-8/h5,7,21-22H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50323023
PNG
((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
Article
PubMed
5.70n/an/an/an/an/an/an/an/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))
BDBM50323039
PNG
(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

Article
PubMed
6.10n/an/an/an/an/an/an/an/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
PNG
((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
Article
PubMed
6.60n/an/an/an/an/an/an/an/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))
BDBM50372079
PNG
(CHEMBL255331)
Show SMILES CC12C[C@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:14.8,THB:9:8:7:3.2,12:14:7:3.2|
Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50323035
PNG
(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

Article
PubMed
9n/an/an/an/an/an/an/an/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))
BDBM50323037
PNG
(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

Article
PubMed
9.40n/an/an/an/an/an/an/an/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
PNG
((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

Article
PubMed
11n/an/an/an/an/an/an/an/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))
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|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50323032
PNG
(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
Article
PubMed
12n/an/an/an/an/an/an/an/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))
BDBM50372085
PNG
(CHEMBL403061)
Show SMILES COc1cc(ccc1-c1cnco1)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:14:16:26:23.22,18:17:26:23.22|
Show InChI InChI=1S/C20H20N2O5/c1-19-6-7-20(2,27-19)16-15(19)17(23)22(18(16)24)11-4-5-12(13(8-11)25-3)14-9-21-10-26-14/h4-5,8-10,23-24H,6-7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50323015
PNG
(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
Article
PubMed
14n/an/an/an/an/an/an/an/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))
BDBM50323018
PNG
(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

Article
PubMed
14n/an/an/an/an/an/an/an/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))
BDBM50323031
PNG
(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

Article
PubMed
16n/an/an/an/an/an/an/an/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))
BDBM50372091
PNG
(CHEMBL403669)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3|
Show InChI InChI=1S/C18H15F3N2O3/c1-16-5-6-17(2,26-16)13-12(16)14(24)23(15(13)25)10-4-3-9(8-22)11(7-10)18(19,20)21/h3-4,7,24-25H,5-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50372084
PNG
(CHEMBL271262)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2ncsc12 |THB:11:13:6:2.3,8:7:6:2.3,(43.68,-48.16,;42.36,-48.94,;43.25,-50.24,;42.34,-50.99,;41.47,-49.89,;40.77,-51.26,;42.7,-47.56,;39.99,-49.92,;38.94,-49.16,;38.06,-49.55,;39.35,-47.93,;40.64,-47.94,;41.28,-46.81,;41.04,-49.17,;38.01,-47.17,;36.67,-47.94,;36.67,-49.48,;35.34,-47.17,;35.34,-45.62,;36.66,-44.84,;36.98,-43.33,;38.52,-43.17,;39.15,-44.59,;38,-45.62,)|
Show InChI InChI=1S/C17H17N3O3S/c1-16-5-6-17(2,23-16)11-10(16)14(21)20(15(11)22)12-8(18)3-4-9-13(12)24-7-19-9/h3-4,7,21-22H,5-6,18H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50372087
PNG
(CHEMBL403214)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |THB:11:13:6:2.3,8:7:6:2.3|
Show InChI InChI=1S/C17H15F3N2O5/c1-15-5-6-16(2,27-15)12-11(15)13(23)21(14(12)24)8-3-4-10(22(25)26)9(7-8)17(18,19)20/h3-4,7,23-24H,5-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50372080
PNG
(CHEMBL403039)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc([N+]([O-])=O)c2c(Br)cccc12 |THB:11:13:6:2.3,8:7:6:2.3,(31.1,-48.31,;29.77,-49.09,;30.66,-50.4,;29.75,-51.15,;28.88,-50.05,;28.17,-51.42,;30.11,-47.72,;27.39,-50.08,;26.35,-49.32,;25.12,-49.71,;26.75,-48.09,;28.05,-48.09,;28.69,-46.97,;28.44,-49.33,;25.41,-47.32,;25.4,-45.77,;24.06,-44.99,;22.74,-45.77,;21.39,-45.01,;21.39,-43.46,;20.06,-45.78,;22.74,-47.32,;21.41,-48.09,;20.07,-47.32,;21.41,-49.64,;22.75,-50.4,;24.08,-49.63,;24.07,-48.09,)|
Show InChI InChI=1S/C20H17BrN2O5/c1-19-8-9-20(2,28-19)16-15(19)17(24)22(18(16)25)12-6-7-13(23(26)27)14-10(12)4-3-5-11(14)21/h3-7,24-25H,8-9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50372081
PNG
(CHEMBL255216)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)n2nccc12 |THB:11:13:6:2.3,8:7:6:2.3,(29.8,-48.84,;28.47,-49.62,;29.36,-50.93,;28.45,-51.68,;27.58,-50.57,;26.88,-51.94,;28.81,-48.25,;26.1,-50.61,;25.06,-49.84,;23.83,-50.24,;25.46,-48.62,;26.76,-48.62,;27.39,-47.5,;27.15,-49.85,;24.13,-47.85,;22.79,-48.62,;21.45,-47.85,;21.45,-46.31,;20.12,-45.55,;18.78,-44.79,;22.77,-45.53,;23.1,-44.01,;24.64,-43.86,;25.27,-45.27,;24.11,-46.3,)|
Show InChI InChI=1S/C18H16N4O3/c1-17-6-7-18(2,25-17)14-13(17)15(23)21(16(14)24)11-4-3-10(9-19)22-12(11)5-8-20-22/h3-5,8,23-24H,6-7H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50323012
PNG
(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
Article
PubMed
20n/an/an/an/an/an/an/an/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))
BDBM50372104
PNG
(CHEMBL255776)
Show SMILES Oc1c2C3CCC(C3)n2c(=O)n1-c1cccc(c1)C(F)(F)F |TLB:9:8:5.4:7,THB:1:2:5.4:7|
Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)9-2-1-3-10(7-9)20-13(21)12-8-4-5-11(6-8)19(12)14(20)22/h1-3,7-8,11,21H,4-6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50323011
PNG
(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/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))
BDBM50323036
PNG
(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)S(N)(=O)=O |r|
Show InChI InChI=1S/C24H21F3N4O5S/c1-22-11-30(14-4-3-5-16(8-14)37(29,34)35)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-7-6-13(10-28)17(9-15)24(25,26)27/h3-9,32-33H,11-12H2,1-2H3,(H2,29,34,35)/t22-,23+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/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))
BDBM50323022
PNG
(4-((1S,2S,6R,7R)-9-Benzoyl-1,7-dimethyl-3,5-dioxo-...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H20F3N3O4/c1-23-12-30(20(32)14-6-4-3-5-7-14)13-24(2,35-23)19-18(23)21(33)31(22(19)34)16-9-8-15(11-29)17(10-16)25(26,27)28/h3-10,33-34H,12-13H2,1-2H3/t23-,24+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/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))
BDBM50372083
PNG
(CHEMBL271261)
Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2nccn12 |THB:11:13:6:2.3,8:7:6:2.3,(28.01,-48.56,;26.67,-49.34,;27.57,-50.65,;26.65,-51.4,;25.78,-50.29,;25.08,-51.67,;27.02,-47.96,;24.29,-50.33,;23.24,-49.56,;22.24,-49.9,;23.65,-48.33,;24.95,-48.33,;25.59,-47.2,;25.35,-49.57,;22.31,-47.56,;20.96,-48.33,;20.96,-49.88,;19.62,-47.56,;19.62,-46.01,;20.95,-45.22,;21.27,-43.7,;22.82,-43.54,;23.45,-44.96,;22.29,-46,)|
Show InChI InChI=1S/C17H18N4O3/c1-16-5-6-17(2,24-16)12-11(16)14(22)21(15(12)23)13-9(18)3-4-10-19-7-8-20(10)13/h3-4,7-8,22-23H,5-6,18H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50323029
PNG
((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H20F4N4O4/c1-23-11-32(22(36)31-15-6-4-14(26)5-7-15)12-24(2,37-23)19-18(23)20(34)33(21(19)35)16-8-3-13(10-30)17(9-16)25(27,28)29/h3-9,34-35H,11-12H2,1-2H3,(H,31,36)/t23-,24+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
29n/an/an/an/an/an/an/an/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))
BDBM50323033
PNG
(4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-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)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,32-33H,11-12H2,1-2H3/t22-,23+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
32n/an/an/an/an/an/an/an/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))
BDBM50323021
PNG
(4-((1S,2S,6R,7R)-9-Cyclopropanecarbonyl-1,7-dimeth...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)C1CC1 |r|
Show InChI InChI=1S/C22H20F3N3O4/c1-20-9-27(17(29)11-3-4-11)10-21(2,32-20)16-15(20)18(30)28(19(16)31)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,3-4,9-10H2,1-2H3/t20-,21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/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))
BDBM50323016
PNG
(4-((1S,2S,6R,7R)-9-Hydroxy-1,7-dimethyl-3,5-dioxo-...)
Show SMILES C[C@@]12CN(O)C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H16F3N3O4/c1-16-7-23(27)8-17(2,28-16)13-12(16)14(25)24(15(13)26)10-4-3-9(6-22)11(5-10)18(19,20)21/h3-5,25-27H,7-8H2,1-2H3/t16-,17+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/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))
BDBM50323020
PNG
(4-((1S,2S,6R,7R)-9-Isobutyryl-1,7-dimethyl-3,5-dio...)
Show SMILES CC(C)C(=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/C22H22F3N3O4/c1-11(2)17(29)27-9-20(3)15-16(21(4,10-27)32-20)19(31)28(18(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,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
Article
PubMed
39n/an/an/an/an/an/an/an/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))
BDBM50156506
PNG
((1S,6S,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...)
Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21
Show InChI InChI=1S/C20H19F3N4O4/c1-19(2,3)31-18(30)25-9-12-7-14(25)15-16(28)27(17(29)26(12)15)11-5-4-10(8-24)13(6-11)20(21,22)23/h4-6,12,14,28H,7,9H2,1-3H3/t12-,14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor in MDA453 cells


Bioorg Med Chem Lett 18: 1910-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.006
BindingDB Entry DOI: 10.7270/Q2DJ5GGT
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50323028
PNG
((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C25H21F3N4O4/c1-23-12-31(22(35)30-15-6-4-3-5-7-15)13-24(2,36-23)19-18(23)20(33)32(21(19)34)16-9-8-14(11-29)17(10-16)25(26,27)28/h3-10,33-34H,12-13H2,1-2H3,(H,30,35)/t23-,24+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/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
Displayed 1 to 50 (of 533 total )  |  Next  |  Last  >>
Jump to: