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

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50008737   
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))
BDBM50403728
PNG
(CHEMBL2112312)
Show SMILES CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076687
PNG
(5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076697
PNG
(4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-a...)
Show SMILES FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12
Show InChI InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076688
PNG
(CHEMBL266473 | trans-7-Ethyl-4-trifluoromethyl-5,6...)
Show SMILES CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076693
PNG
(5-Ethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa...)
Show SMILES CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(20)21-13/h5-8,19H,2-4H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076691
PNG
(7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,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
PubMed
n/an/a 1n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403729
PNG
(CHEMBL2112311)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076684
PNG
(4,5-Bis-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8...)
Show SMILES FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H9F6NO2/c15-13(16,17)8-1-2-21-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(22)23-11/h3-5,8,21H,1-2H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50076692
PNG
(5-Propyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9,20H,2-5H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076694
PNG
(5-Pentafluoroethyl-4-trifluoromethyl-5,6,7,8-tetra...)
Show SMILES FC(F)(F)c1cc(=O)oc2cc3NCCC(c3cc12)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C15H9F8NO2/c16-13(17,15(21,22)23)8-1-2-24-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(25)26-11/h3-5,8,24H,1-2H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076696
PNG
(CHEMBL6721 | trans-5,7-Diethyl-4-trifluoromethyl-5...)
Show SMILES CCC1CC(CC)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-5-10(4-2)21-14-8-15-12(6-11(9)14)13(17(18,19)20)7-16(22)23-15/h6-10,21H,3-5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076685
PNG
(7-Ethyl-6-methyl-4-trifluoromethyl-5,6,7,8-tetrahy...)
Show SMILES CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(21)22-14(10)7-13(9)20-12/h5-8,12,20H,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
PubMed
n/an/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076697
PNG
(4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-a...)
Show SMILES FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12
Show InChI InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076688
PNG
(CHEMBL266473 | trans-7-Ethyl-4-trifluoromethyl-5,6...)
Show SMILES CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50076689
PNG
(5-Ethyl-8-methyl-4-trifluoromethyl-5,6,7,8-tetrahy...)
Show SMILES CCC1CCN(C)c2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-5-20(2)13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9H,3-5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403730
PNG
(CHEMBL2052002)
Show SMILES CC[C@H]1CNc2cc3oc(=O)cc(c3cc2[C@@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonistic activity against human androgen receptor (hAR) expressed in CV-1 cells; not active


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076685
PNG
(7-Ethyl-6-methyl-4-trifluoromethyl-5,6,7,8-tetrahy...)
Show SMILES CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(21)22-14(10)7-13(9)20-12/h5-8,12,20H,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
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076696
PNG
(CHEMBL6721 | trans-5,7-Diethyl-4-trifluoromethyl-5...)
Show SMILES CCC1CC(CC)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-5-10(4-2)21-14-8-15-12(6-11(9)14)13(17(18,19)20)7-16(22)23-15/h6-10,21H,3-5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076684
PNG
(4,5-Bis-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8...)
Show SMILES FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H9F6NO2/c15-13(16,17)8-1-2-21-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(22)23-11/h3-5,8,21H,1-2H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076692
PNG
(5-Propyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9,20H,2-5H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076693
PNG
(5-Ethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa...)
Show SMILES CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(20)21-13/h5-8,19H,2-4H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403729
PNG
(CHEMBL2112311)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076694
PNG
(5-Pentafluoroethyl-4-trifluoromethyl-5,6,7,8-tetra...)
Show SMILES FC(F)(F)c1cc(=O)oc2cc3NCCC(c3cc12)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C15H9F8NO2/c16-13(17,15(21,22)23)8-1-2-24-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(25)26-11/h3-5,8,24H,1-2H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076687
PNG
(5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cells


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403728
PNG
(CHEMBL2112312)
Show SMILES CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076699
PNG
(CHEMBL269305 | cis-7-Ethyl-5-methyl-4-trifluoromet...)
Show SMILES CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(21)22-14(11)7-13(10)20-9/h5-9,20H,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
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076691
PNG
(7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,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
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a>10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50076699
PNG
(CHEMBL269305 | cis-7-Ethyl-5-methyl-4-trifluoromet...)
Show SMILES CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(21)22-14(11)7-13(10)20-9/h5-9,20H,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
PubMed
n/an/a 11n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403731
PNG
(CHEMBL2112216)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 65n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076695
PNG
(5,7,7-Trimethyl-4-trifluoromethyl-7,8-dihydro-1-ox...)
Show SMILES CC1=CC(C)(C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |t:1|
Show InChI InChI=1S/C16H14F3NO2/c1-8-7-15(2,3)20-12-6-13-10(4-9(8)12)11(16(17,18)19)5-14(21)22-13/h4-7,20H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 100n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076692
PNG
(5-Propyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9,20H,2-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 106n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 117n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity at human androgen receptor transfected into COS cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50403728
PNG
(CHEMBL2112312)
Show SMILES CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 130n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50403729
PNG
(CHEMBL2112311)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 130n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076693
PNG
(5-Ethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa...)
Show SMILES CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(20)21-13/h5-8,19H,2-4H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 200n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076684
PNG
(4,5-Bis-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8...)
Show SMILES FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H9F6NO2/c15-13(16,17)8-1-2-21-10-5-11-7(3-6(8)10)9(14(18,19)20)4-12(22)23-11/h3-5,8,21H,1-2H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 270n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076689
PNG
(5-Ethyl-8-methyl-4-trifluoromethyl-5,6,7,8-tetrahy...)
Show SMILES CCC1CCN(C)c2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-5-20(2)13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(21)22-14/h6-9H,3-5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 276n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076687
PNG
(5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...)
Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 280n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50403729
PNG
(CHEMBL2112311)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 340n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076685
PNG
(7-Ethyl-6-methyl-4-trifluoromethyl-5,6,7,8-tetrahy...)
Show SMILES CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
Show InChI InChI=1S/C16H16F3NO2/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(21)22-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 440n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50076691
PNG
(7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 570n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50076691
PNG
(7,7-Dimethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(20)21-12(9)7-11(8)19-14/h5-7,19H,3-4H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50403728
PNG
(CHEMBL2112312)
Show SMILES CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50403729
PNG
(CHEMBL2112311)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3NO2/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(21)22-14/h4-6,8-9,20H,3,7H2,1-2H3/t8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 95 total )  |  Next  |  Last  >>
Jump to: