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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50034972   
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))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072704
PNG
(5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...)
Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3
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0.870n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072714
PNG
(5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3
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0.950n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072709
PNG
(9-Fluoro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20FNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072705
PNG
(5-Butyl-2,2,4,9-tetramethyl-2,5-dihydro-1H-6-oxa-1...)
Show SMILES CCCCC1Oc2ccc(C)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C24H29NO/c1-6-7-8-21-23-17(18-13-15(2)9-12-20(18)26-21)10-11-19-22(23)16(3)14-24(4,5)25-19/h9-14,21,25H,6-8H2,1-5H3
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1.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072716
PNG
(9-Chloro-2,2,4-trimethyl-5-propoxy-2,5-dihydro-1H-...)
Show SMILES CCCOC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C22H24ClNO2/c1-5-10-25-21-20-15(16-11-14(23)6-9-18(16)26-21)7-8-17-19(20)13(2)12-22(3,4)24-17/h6-9,11-12,21,24H,5,10H2,1-4H3
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1.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072713
PNG
(2,2,4-Trimethyl-5-(3-methyl-butyl)-2,5-dihydro-1H-...)
Show SMILES CC(C)CCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C24H29NO/c1-15(2)10-13-21-23-18(17-8-6-7-9-20(17)26-21)11-12-19-22(23)16(3)14-24(4,5)25-19/h6-9,11-12,14-15,21,25H,10,13H2,1-5H3
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1.70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072697
PNG
(5-Butyl-9-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-...)
Show SMILES CCCCC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H26FNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3
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2.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072711
PNG
(5-(4-Chloro-butyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CCCCCl)c3c12 |t:1|
Show InChI InChI=1S/C23H26ClNO/c1-15-14-23(2,3)25-18-12-11-17-16-8-4-5-9-19(16)26-20(10-6-7-13-24)22(17)21(15)18/h4-5,8-9,11-12,14,20,25H,6-7,10,13H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072719
PNG
(2,2,4,5-Tetramethyl-2,5-dihydro-1H-6-oxa-1-aza-chr...)
Show SMILES CC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:18|
Show InChI InChI=1S/C20H21NO/c1-12-11-20(3,4)21-16-10-9-15-14-7-5-6-8-17(14)22-13(2)19(15)18(12)16/h5-11,13,21H,1-4H3
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3.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072699
PNG
(5-Butyl-9-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CCCCC1Oc2ccc(OC)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-8-21-23-17(18-13-16(26-5)9-12-20(18)27-21)10-11-19-22(23)15(2)14-24(3,4)25-19/h9-14,21,25H,6-8H2,1-5H3
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3.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072702
PNG
(9-Chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Cl)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H18ClNO/c1-11-9-19(2,3)21-16-6-5-13-14-8-12(20)4-7-17(14)22-10-15(13)18(11)16/h4-9,21H,10H2,1-3H3
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3.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
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4.80n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072717
PNG
(9-Fluoro-2,2,4-trimethyl-5-propoxy-2,5-dihydro-1H-...)
Show SMILES CCCOC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C22H24FNO2/c1-5-10-25-21-20-15(16-11-14(23)6-9-18(16)26-21)7-8-17-19(20)13(2)12-22(3,4)24-17/h6-9,11-12,21,24H,5,10H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072715
PNG
(9-Fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(F)cc-34)c12 |t:1|
Show InChI InChI=1S/C19H18FNO/c1-11-9-19(2,3)21-16-6-5-13-14-8-12(20)4-7-17(14)22-10-15(13)18(11)16/h4-9,21H,10H2,1-3H3
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6.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072720
PNG
(9-Fluoro-2,2,4-trimethyl-5-propylsulfanyl-2,5-dihy...)
Show SMILES CCCSC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C22H24FNOS/c1-5-10-26-21-20-15(16-11-14(23)6-9-18(16)25-21)7-8-17-19(20)13(2)12-22(3,4)24-17/h6-9,11-12,21,24H,5,10H2,1-4H3
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6.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072722
PNG
(9-Chloro-5-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES COC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
Show InChI InChI=1S/C20H20ClNO2/c1-11-10-20(2,3)22-15-7-6-13-14-9-12(21)5-8-16(14)24-19(23-4)18(13)17(11)15/h5-10,19,22H,1-4H3
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16n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50366558
PNG
(ONAPRISTONE | ZK-98299)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
Show InChI InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
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18n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072718
PNG
(5-Hexyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CCCCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C25H31NO/c1-5-6-7-8-13-22-24-19(18-11-9-10-12-21(18)27-22)14-15-20-23(24)17(2)16-25(3,4)26-20/h9-12,14-16,22,26H,5-8,13H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072710
PNG
(2,2,4-Trimethyl-5-propylsulfanyl-2,5-dihydro-1H-6-...)
Show SMILES CCCSC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
Show InChI InChI=1S/C22H25NOS/c1-5-12-25-21-20-16(15-8-6-7-9-18(15)24-21)10-11-17-19(20)14(2)13-22(3,4)23-17/h6-11,13,21,23H,5,12H2,1-4H3
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24n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072706
PNG
(5-Butyl-8-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-...)
Show SMILES CCCCC1Oc2cc(F)ccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H26FNO/c1-5-6-7-19-22-17(16-9-8-15(24)12-20(16)26-19)10-11-18-21(22)14(2)13-23(3,4)25-18/h8-13,19,25H,5-7H2,1-4H3
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27n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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31n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072696
PNG
(9-Fluoro-5-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES COC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
Show InChI InChI=1S/C20H20FNO2/c1-11-10-20(2,3)22-15-7-6-13-14-9-12(21)5-8-16(14)24-19(23-4)18(13)17(11)15/h5-10,19,22H,1-4H3
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38n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072721
PNG
(2,2,4,9-Tetramethyl-2,5-dihydro-1H-6-oxa-1-aza-chr...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(C)cc-34)c12 |t:1|
Show InChI InChI=1S/C20H21NO/c1-12-5-8-18-15(9-12)14-6-7-17-19(16(14)11-22-18)13(2)10-20(3,4)21-17/h5-10,21H,11H2,1-4H3
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50n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072705
PNG
(5-Butyl-2,2,4,9-tetramethyl-2,5-dihydro-1H-6-oxa-1...)
Show SMILES CCCCC1Oc2ccc(C)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C24H29NO/c1-6-7-8-21-23-17(18-13-15(2)9-12-20(18)26-21)10-11-19-22(23)16(3)14-24(4,5)25-19/h9-14,21,25H,6-8H2,1-5H3
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51n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072698
PNG
(2,2,4-Trimethyl-5-propoxy-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES CCCOC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
Show InChI InChI=1S/C22H25NO2/c1-5-12-24-21-20-16(15-8-6-7-9-18(15)25-21)10-11-17-19(20)14(2)13-22(3,4)23-17/h6-11,13,21,23H,5,12H2,1-4H3
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64n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072712
PNG
(8-Fluoro-5-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES COC1Oc2cc(F)ccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
Show InChI InChI=1S/C20H20FNO2/c1-11-10-20(2,3)22-15-8-7-14-13-6-5-12(21)9-16(13)24-19(23-4)18(14)17(11)15/h5-10,19,22H,1-4H3
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81n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072700
PNG
(2,2,4-Trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccccc-34)c12 |t:1|
Show InChI InChI=1S/C19H19NO/c1-12-10-19(2,3)20-16-9-8-13-14-6-4-5-7-17(14)21-11-15(13)18(12)16/h4-10,20H,11H2,1-3H3
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84n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072699
PNG
(5-Butyl-9-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CCCCC1Oc2ccc(OC)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-8-21-23-17(18-13-16(26-5)9-12-20(18)27-21)10-11-19-22(23)15(2)14-24(3,4)25-19/h9-14,21,25H,6-8H2,1-5H3
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130n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072713
PNG
(2,2,4-Trimethyl-5-(3-methyl-butyl)-2,5-dihydro-1H-...)
Show SMILES CC(C)CCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C24H29NO/c1-15(2)10-13-21-23-18(17-8-6-7-9-20(17)26-21)11-12-19-22(23)16(3)14-24(4,5)25-19/h6-9,11-12,14-15,21,25H,10,13H2,1-5H3
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158n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072716
PNG
(9-Chloro-2,2,4-trimethyl-5-propoxy-2,5-dihydro-1H-...)
Show SMILES CCCOC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C22H24ClNO2/c1-5-10-25-21-20-15(16-11-14(23)6-9-18(16)26-21)7-8-17-19(20)13(2)12-22(3,4)24-17/h6-9,11-12,21,24H,5,10H2,1-4H3
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260n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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367n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072704
PNG
(5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...)
Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3
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394n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072708
PNG
(5-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES COC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H21NO2/c1-12-11-20(2,3)21-15-10-9-14-13-7-5-6-8-16(13)23-19(22-4)18(14)17(12)15/h5-11,19,21H,1-4H3
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400n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072709
PNG
(9-Fluoro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20FNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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456n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072697
PNG
(5-Butyl-9-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-...)
Show SMILES CCCCC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H26FNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3
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533n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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621n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072716
PNG
(9-Chloro-2,2,4-trimethyl-5-propoxy-2,5-dihydro-1H-...)
Show SMILES CCCOC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C22H24ClNO2/c1-5-10-25-21-20-15(16-11-14(23)6-9-18(16)26-21)7-8-17-19(20)13(2)12-22(3,4)24-17/h6-9,11-12,21,24H,5,10H2,1-4H3
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697n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072709
PNG
(9-Fluoro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20FNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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749n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072699
PNG
(5-Butyl-9-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6...)
Show SMILES CCCCC1Oc2ccc(OC)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-8-21-23-17(18-13-16(26-5)9-12-20(18)27-21)10-11-19-22(23)15(2)14-24(3,4)25-19/h9-14,21,25H,6-8H2,1-5H3
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785n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072714
PNG
(5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3
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813n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072704
PNG
(5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...)
Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3
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886n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
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889n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072705
PNG
(5-Butyl-2,2,4,9-tetramethyl-2,5-dihydro-1H-6-oxa-1...)
Show SMILES CCCCC1Oc2ccc(C)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
Show InChI InChI=1S/C24H29NO/c1-6-7-8-21-23-17(18-13-15(2)9-12-20(18)26-21)10-11-19-22(23)16(3)14-24(4,5)25-19/h9-14,21,25H,6-8H2,1-5H3
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903n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
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