BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'allan' and Initial = 'gf'   
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
Progesterone receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 0.0540n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))		BDBM50222089
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5-et...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C31H35NO3/c1-5-28-32-31(19(3)35-28)15-14-27-25-12-10-22-16-23(34)11-13-24(22)29(25)26(17-30(27,31)4)21-8-6-20(7-9-21)18(2)33/h6-9,16,25-27H,3,5,10-15,17H2,1-2,4H3/t25-,26+,27-,30-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222091
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5,15...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C30H33NO3/c1-17(32)20-5-7-21(8-6-20)26-16-29(4)27(13-14-30(29)18(2)34-19(3)31-30)25-11-9-22-15-23(33)10-12-24(22)28(25)26/h5-8,15,25-27H,2,9-14,16H2,1,3-4H3/t25-,26+,27-,29-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.590n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222086
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C30H36N2O2/c1-18-30(31-19(2)34-18)15-14-27-25-12-8-21-16-23(33)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)32(4)5/h6-7,9-10,16,25-27H,1,8,11-15,17H2,2-5H3/t25-,26+,27-,29-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.630n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222092
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)N(C)C)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C31H38N2O2/c1-6-28-32-31(19(2)35-28)16-15-27-25-13-9-21-17-23(34)12-14-24(21)29(25)26(18-30(27,31)3)20-7-10-22(11-8-20)33(4)5/h7-8,10-11,17,25-27H,2,6,9,12-16,18H2,1,3-5H3/t25-,26+,27-,30-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222088
PNG
((3S,10'S,11'S,15'S,17'R)-5-ethyl-17'-(3-fluoro-4-m...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(OC)c(F)c2)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C30H34FNO3/c1-5-27-32-30(17(2)35-27)13-12-24-22-9-6-18-14-20(33)8-10-21(18)28(22)23(16-29(24,30)3)19-7-11-26(34-4)25(31)15-19/h7,11,14-15,22-24H,2,5-6,8-10,12-13,16H2,1,3-4H3/t22-,23+,24-,29-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50201772
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-1,1,1-tr...)
Show SMILES CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:3.3|
Show InChI InChI=1S/C12H11Cl2F3N2O/c1-5(2)11(20,12(15,16)17)10-18-8-3-6(13)7(14)4-9(8)19-10/h3-5,20H,1-2H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay

Bioorg Med Chem Lett 17: 1784-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.045
BindingDB Entry DOI: 10.7270/Q2KW5FQJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222087
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(3-fluoro-4-methoxyph...)
Show SMILES COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C29H32FNO3/c1-16-29(31-17(2)34-16)12-11-24-22-8-5-18-13-20(32)7-9-21(18)27(22)23(15-28(24,29)3)19-6-10-26(33-4)25(30)14-19/h6,10,13-14,22-24H,1,5,7-9,11-12,15H2,2-4H3/t22-,23+,24-,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50201773
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-1,1,1-tr...)
Show SMILES OC(C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:1.0|
Show InChI InChI=1S/C11H7Cl2F3N2O/c1-2-10(19,11(14,15)16)9-17-7-3-5(12)6(13)4-8(7)18-9/h2-4,19H,1H2,(H,17,18)
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
n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay

Bioorg Med Chem Lett 17: 1784-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.045
BindingDB Entry DOI: 10.7270/Q2KW5FQJ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50201771
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3-(ethyl...)
Show SMILES CCSCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:4.4|
Show InChI InChI=1S/C12H11Cl2F3N2OS/c1-2-21-5-11(20,12(15,16)17)10-18-8-3-6(13)7(14)4-9(8)19-10/h3-4,20H,2,5H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay

Bioorg Med Chem Lett 17: 1784-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.045
BindingDB Entry DOI: 10.7270/Q2KW5FQJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222085
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |c:19,t:28,35|
Show InChI InChI=1S/C29H34N2O2/c1-18-29(30-17-33-18)14-13-26-24-11-7-20-15-22(32)10-12-23(20)27(24)25(16-28(26,29)2)19-5-8-21(9-6-19)31(3)4/h5-6,8-9,15,17,24-26H,1,7,10-14,16H2,2-4H3/t24-,25+,26-,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50222092
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)N(C)C)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C31H38N2O2/c1-6-28-32-31(19(2)35-28)16-15-27-25-13-9-21-17-23(34)12-14-24(21)29(25)26(18-30(27,31)3)20-7-10-22(11-8-20)33(4)5/h7-8,10-11,17,25-27H,2,6,9,12-16,18H2,1,3-5H3/t25-,26+,27-,30-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185197
PNG
(11-methyl-6,11-dihydro-5H-pyrido[3,2-a]carbazol-8-...)
Show SMILES Cn1c-2c(CCc3ncccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H14N2O/c1-18-15-7-4-10(19)9-13(15)11-5-6-14-12(16(11)18)3-2-8-17-14/h2-4,7-9,19H,5-6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185206
PNG
(11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol | ...)
Show SMILES Cn1c-2c(CCc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C17H15NO/c1-18-16-10-12(19)7-9-14(16)15-8-6-11-4-2-3-5-13(11)17(15)18/h2-5,7,9-10,19H,6,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185194
PNG
(11-methyl-6,11-dihydro-5-thia-4,11-diaza-benzo[a]f...)
Show SMILES Cn1c-2c(CSc3ncccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C15H12N2OS/c1-17-13-5-4-9(18)7-11(13)12-8-19-15-10(14(12)17)3-2-6-16-15/h2-7,18H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50222090
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-15'-...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |c:19,t:28,35|
Show InChI InChI=1S/C29H31NO3/c1-17(31)19-4-6-20(7-5-19)25-15-28(3)26(12-13-29(28)18(2)33-16-30-29)24-10-8-21-14-22(32)9-11-23(21)27(24)25/h4-7,14,16,24-26H,2,8-13,15H2,1,3H3/t24-,25+,26-,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50222086
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C30H36N2O2/c1-18-30(31-19(2)34-18)15-14-27-25-12-8-21-16-23(33)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)32(4)5/h6-7,9-10,16,25-27H,1,8,11-15,17H2,2-5H3/t25-,26+,27-,29-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194351
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H13Cl3F3NOS/c1-17(26,8-27-10-2-3-12(19)14(21)6-10)16-5-9-4-13(20)11(18(22,23)24)7-15(9)25-16/h2-7,25-26H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185210
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-8-o...)
Show SMILES Cn1c-2c(CSc3ccccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H13NOS/c1-17-14-7-6-10(18)8-12(14)13-9-19-15-5-3-2-4-11(15)16(13)17/h2-8,18H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185207
PNG
(2-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3ccc(F)cc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H12FNOS/c1-18-14-4-3-10(19)7-11(14)13-8-20-15-5-2-9(17)6-12(15)16(13)18/h2-7,19H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185191
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-9-o...)
Show SMILES Cn1c-2c(CSc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C16H13NOS/c1-17-14-8-10(18)6-7-11(14)13-9-19-15-5-3-2-4-12(15)16(13)17/h2-8,18H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194342
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C20H14F6N2O5/c1-18(30,9-33-17(29)11-4-2-3-5-12(11)19(21,22)23)16-7-10-6-15(28(31)32)13(20(24,25)26)8-14(10)27-16/h2-8,27,30H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194331
PNG
(2-hydroxy-2-(5-(2,2,2-trifluoroacetamido)-6-(trifl...)
Show SMILES CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(NC(=O)C(F)(F)F)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H15F9N2O4/c1-19(36,9-37-17(34)11-4-2-3-5-12(11)20(23,24)25)16-7-10-6-15(33-18(35)22(29,30)31)13(21(26,27)28)8-14(10)32-16/h2-8,32,36H,9H2,1H3,(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194352
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NOS/c1-17(25,9-26-12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194337
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14Cl2F3NOS/c1-17(25,9-26-12-4-2-11(19)3-5-12)16-7-10-6-14(20)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194350
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccccc1Cl)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14Cl2F3NOS/c1-17(25,9-26-15-5-3-2-4-12(15)19)16-7-10-6-13(20)11(18(21,22)23)8-14(10)24-16/h2-8,24-25H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50222089
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5-et...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1 |c:18,t:2,11|
Show InChI InChI=1S/C31H35NO3/c1-5-28-32-31(19(3)35-28)15-14-27-25-12-10-22-16-23(34)11-13-24(22)29(25)26(17-30(27,31)4)21-8-6-20(7-9-21)18(2)33/h6-9,16,25-27H,3,5,10-15,17H2,1-2,4H3/t25-,26+,27-,30-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194330
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccccc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3NOS/c1-17(24,10-25-12-5-3-2-4-6-12)16-8-11-7-14(19)13(18(20,21)22)9-15(11)23-16/h2-9,23-24H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185202
PNG
(3,10-dimethyl-3,4,5,10-tetrahydropyrrolo[3,2-a]car...)
Show SMILES Cn1ccc-2c1CCc1c-2n(C)c2ccc(O)cc12
Show InChI InChI=1S/C16H16N2O/c1-17-8-7-12-14(17)6-4-11-13-9-10(19)3-5-15(13)18(2)16(11)12/h3,5,7-9,19H,4,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194353
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-2-h...)
Show SMILES CC(O)(COC(=O)c1ccccc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3NO3/c1-18(26,10-27-17(25)11-5-3-2-4-6-11)16-8-12-7-14(20)13(19(21,22)23)9-15(12)24-16/h2-9,24,26H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194326
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccccc1Cl)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14ClF3N2O5/c1-18(27,9-30-17(26)11-4-2-3-5-13(11)20)16-7-10-6-15(25(28)29)12(19(21,22)23)8-14(10)24-16/h2-8,24,27H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194340
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1cccc(Cl)c1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14ClF3N2O5/c1-18(27,9-30-17(26)10-3-2-4-12(20)5-10)16-7-11-6-15(25(28)29)13(19(21,22)23)8-14(11)24-16/h2-8,24,27H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194345
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NO3S/c1-17(25,9-28(26,27)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50222091
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5,15...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C30H33NO3/c1-17(32)20-5-7-21(8-6-20)26-16-29(4)27(13-14-30(29)18(2)34-19(3)31-30)25-11-9-22-15-23(33)10-12-24(22)28(25)26/h5-8,15,25-27H,2,9-14,16H2,1,3-4H3/t25-,26+,27-,29-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194327
PNG
(2-(5-cyano-6-(trifluoromethyl)-1H-indol-2-yl)-2-hy...)
Show SMILES CC(O)(COC(=O)c1ccccc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N2O3/c1-19(27,11-28-18(26)12-5-3-2-4-6-12)17-8-13-7-14(10-24)15(20(21,22)23)9-16(13)25-17/h2-9,25,27H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50222085
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |c:19,t:28,35|
Show InChI InChI=1S/C29H34N2O2/c1-18-29(30-17-33-18)14-13-26-24-11-7-20-15-22(32)10-12-23(20)27(24)25(16-28(26,29)2)19-5-8-21(9-6-19)31(3)4/h5-6,8-9,15,17,24-26H,1,7,10-14,16H2,2-4H3/t24-,25+,26-,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185190
PNG
(10-methyl-5,10-dihydro-4H-thieno[3,2-a]carbazol-7-...)
Show SMILES Cn1c2-c3ccsc3CCc2c2cc(O)ccc12
Show InChI InChI=1S/C15H13NOS/c1-16-13-4-2-9(17)8-12(13)10-3-5-14-11(15(10)16)6-7-18-14/h2,4,6-8,17H,3,5H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185209
PNG
(3-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3cc(F)ccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H12FNOS/c1-18-14-5-3-10(19)7-12(14)13-8-20-15-6-9(17)2-4-11(15)16(13)18/h2-7,19H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194354
PNG
(2-(5-chloro-1H-indol-2-yl)-1-(4-chlorophenylthio)p...)
Show SMILES CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C17H15Cl2NOS/c1-17(21,10-22-14-5-2-12(18)3-6-14)16-9-11-8-13(19)4-7-15(11)20-16/h2-9,20-21H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50222087
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(3-fluoro-4-methoxyph...)
Show SMILES COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
Show InChI InChI=1S/C29H32FNO3/c1-16-29(31-17(2)34-16)12-11-24-22-8-5-18-13-20(32)7-9-21(18)27(22)23(15-28(24,29)3)19-6-10-26(33-4)25(30)14-19/h6,10,13-14,22-24H,1,5,7-9,11-12,15H2,2-4H3/t22-,23+,24-,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...

Bioorg Med Chem Lett 17: 5754-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.064
BindingDB Entry DOI: 10.7270/Q2Z03905
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194344
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14ClF3N2O5/c1-18(27,9-30-17(26)10-2-4-12(20)5-3-10)16-7-11-6-15(25(28)29)13(19(21,22)23)8-14(11)24-16/h2-8,24,27H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194346
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccccc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H15F3N2O5/c1-18(26,10-29-17(25)11-5-3-2-4-6-11)16-8-12-7-15(24(27)28)13(19(20,21)22)9-14(12)23-16/h2-9,23,26H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185201
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-8-y...)
Show SMILES CC(=O)Oc1ccc2n(C)c-3c(CSc4ccccc-34)c2c1
Show InChI InChI=1S/C18H15NO2S/c1-11(20)21-12-7-8-16-14(9-12)15-10-22-17-6-4-3-5-13(17)18(15)19(16)2/h3-9H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185213
PNG
(12-methyl-5,6,7,12-tetrahydro-benzo[6,7]cyclohepta...)
Show SMILES Cn1c-2c(CCCc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO/c1-19-17-11-13(20)9-10-15(17)16-8-4-6-12-5-2-3-7-14(12)18(16)19/h2-3,5,7,9-11,20H,4,6,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194328
PNG
(1-(4-aminophenylthio)-2-(5-chloro-6-(trifluorometh...)
Show SMILES CC(O)(CSc1ccc(N)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2OS/c1-17(25,9-26-12-4-2-11(23)3-5-12)16-7-10-6-14(19)13(18(20,21)22)8-15(10)24-16/h2-8,24-25H,9,23H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50185199
PNG
(11-methyl-6,11-dihydro-5H-pyrido[4,3-a]carbazol-8-...)
Show SMILES Cn1c-2c(CCc3cnccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H14N2O/c1-18-15-5-3-11(19)8-14(15)13-4-2-10-9-17-7-6-12(10)16(13)18/h3,5-9,19H,2,4H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells

Bioorg Med Chem Lett 16: 3233-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.047
BindingDB Entry DOI: 10.7270/Q2Q52QDP
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM50194339
PNG
(CHEMBL376323 | biphenyl-4-carboxylic acid 2-hydrox...)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)-c1ccccc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C25H19F3N2O5/c1-24(32,14-35-23(31)17-9-7-16(8-10-17)15-5-3-2-4-6-15)22-12-18-11-21(30(33)34)19(25(26,27)28)13-20(18)29-22/h2-13,29,32H,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor

Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 79 total )  |  Next  |  Last  >>
Jump to: