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PubMed code 12657272

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus)		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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n/an/a 7.43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory progestational activity on oral administration in uterine C3 model

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
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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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of 3 nM [3H]R5020 binding to progesterone receptor in human T47D cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of 3 nM [3H]R5020 binding to progesterone receptor in human T47D cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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n/an/a 35n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against glucocorticoid receptor in human lung A549 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50121180
PNG
(5'-(3-chlorophenyl)spiro[cyclohexane-1,3'-indol]-2...)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=O)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNO/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against progesterone receptor induced alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)		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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n/an/a 67.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory progestational activity on oral administration in uterine C3 model

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)		BDBM50404222
PNG
(CHEMBL417475)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(s1)C#N
Show InChI InChI=1S/C18H16N2S2/c19-11-13-5-7-16(22-13)12-4-6-15-14(10-12)18(17(21)20-15)8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,20,21)
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n/an/a 92.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concnetration against Androgen receptor in mouse fibroblast L929 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)		BDBM50375837
PNG
(CHEMBL270976)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H18N2S/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(19(23)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,23)
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n/an/a 942n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)		BDBM50404229
PNG
(CHEMBL24089)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNS/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory progestational activity on oral administration in uterine C3 model

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Androgen receptor in mouse fibroblast L929 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404230
PNG
(CHEMBL26755)
Show SMILES CC1(Cc2ccccc2)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClNS/c1-22(14-15-6-3-2-4-7-15)19-13-17(10-11-20(19)24-21(22)25)16-8-5-9-18(23)12-16/h2-13H,14H2,1H3,(H,24,25)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404212
PNG
(CHEMBL27052)
Show SMILES CCCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C22H24N2S2/c1-2-3-7-15-12-17(14-23)26-20(15)16-8-9-19-18(13-16)22(21(25)24-19)10-5-4-6-11-22/h8-9,12-13H,2-7,10-11H2,1H3,(H,24,25)
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n/an/an/an/a 24n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404229
PNG
(CHEMBL24089)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNS/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
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n/an/an/an/a 1.60n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404223
PNG
(CHEMBL280805)
Show SMILES CC1(C)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClNS/c1-16(2)13-9-11(6-7-14(13)18-15(16)19)10-4-3-5-12(17)8-10/h3-9H,1-2H3,(H,18,19)
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n/an/an/an/a 5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404234
PNG
(CHEMBL25061)
Show SMILES Clc1ccccc1-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNS/c20-16-7-3-2-6-14(16)13-8-9-17-15(12-13)19(18(22)21-17)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22)
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n/an/an/an/a 5.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404211
PNG
(CHEMBL25182)
Show SMILES CN1C(=S)C2(CCCCC2)c2cc(ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNS/c1-22-18-9-8-15(14-6-5-7-16(21)12-14)13-17(18)20(19(22)23)10-3-2-4-11-20/h5-9,12-13H,2-4,10-11H2,1H3
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n/an/an/an/a>3.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against Androgen receptor in mouse fibroblast L929 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404219
PNG
(CHEMBL283337)
Show SMILES Oc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H19NOS/c21-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)20-17)9-2-1-3-10-19/h4-8,11-12,21H,1-3,9-10H2,(H,20,22)
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n/an/an/an/a 2.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404224
PNG
(CHEMBL27379)
Show SMILES Fc1cc(Cl)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H17ClFNS/c20-14-8-13(9-15(21)11-14)12-4-5-17-16(10-12)19(18(23)22-17)6-2-1-3-7-19/h4-5,8-11H,1-3,6-7H2,(H,22,23)
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n/an/an/an/a 0.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404235
PNG
(CHEMBL25021)
Show SMILES Fc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18FNS/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
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n/an/an/an/a 1.60n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404215
PNG
(CHEMBL27818)
Show SMILES Clc1ccc(s1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C17H16ClNS2/c18-15-7-6-14(21-15)11-4-5-13-12(10-11)17(16(20)19-13)8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,19,20)
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n/an/an/an/a 1.40n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
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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n/an/an/an/a 10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against glucocorticoid receptor in human lung A549 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404225
PNG
(CHEMBL25429)
Show SMILES Clc1ccc(cc1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNS/c20-15-7-4-13(5-8-15)14-6-9-17-16(12-14)19(18(22)21-17)10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404232
PNG
(CHEMBL25430)
Show SMILES CCC1(CC)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H18ClNS/c1-3-18(4-2)15-11-13(8-9-16(15)20-17(18)21)12-6-5-7-14(19)10-12/h5-11H,3-4H2,1-2H3,(H,20,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404214
PNG
(CHEMBL412874)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H23NS/c27-24-25(14-5-2-6-15-25)22-17-21(12-13-23(22)26-24)20-11-7-10-19(16-20)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2,(H,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404216
PNG
(CHEMBL282774)
Show SMILES Fc1ccc(cc1C#N)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C20H17FN2S/c21-17-6-4-13(10-15(17)12-22)14-5-7-18-16(11-14)20(19(24)23-18)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,23,24)
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n/an/an/an/a 4.20n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404227
PNG
(CHEMBL28102)
Show SMILES Fc1ccc(cc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-17-6-4-13(12-22)10-15(17)14-5-7-18-16(11-14)20(19(24)23-18)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404231
PNG
(CHEMBL28256)
Show SMILES Cc1c(S)[nH]c2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNS/c1-9-13-8-11(5-6-14(13)17-15(9)18)10-3-2-4-12(16)7-10/h2-8,17-18H,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404233
PNG
(CHEMBL283759)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCC3)c2c1
Show InChI InChI=1S/C18H16ClNS/c19-14-5-3-4-12(10-14)13-6-7-16-15(11-13)18(17(21)20-16)8-1-2-9-18/h3-7,10-11H,1-2,8-9H2,(H,20,21)
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n/an/an/an/a 9.80n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404237
PNG
(CHEMBL26997)
Show SMILES Fc1ccc(cc1Cl)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H17ClFNS/c20-15-11-13(4-6-16(15)21)12-5-7-17-14(10-12)19(18(23)22-17)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9H2,(H,22,23)
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n/an/an/an/a 4.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404239
PNG
(CHEMBL28031)
Show SMILES Cc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C19H18N2S2/c1-12-9-14(11-20)23-17(12)13-5-6-16-15(10-13)19(18(22)21-16)7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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n/an/an/an/a 0.360n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404213
PNG
(CHEMBL26770)
Show SMILES Fc1cc(ccc1C#N)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C20H17FN2S/c21-17-11-14(4-5-15(17)12-22)13-6-7-18-16(10-13)20(19(24)23-18)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,23,24)
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n/an/an/an/a 15n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404238
PNG
(CHEMBL286029)
Show SMILES COc1cc(F)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C20H20FNOS/c1-23-16-10-14(9-15(21)12-16)13-5-6-18-17(11-13)20(19(24)22-18)7-3-2-4-8-20/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,24)
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n/an/an/an/a 2.60n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
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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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)		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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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concnetration against Androgen receptor in mouse fibroblast L929 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50126158
PNG
(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against glucocorticoid receptor in human lung A549 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404217
PNG
(CHEMBL280767)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1coc(c1)C#N
Show InChI InChI=1S/C18H16N2OS/c19-10-14-8-13(11-21-14)12-4-5-16-15(9-12)18(17(22)20-16)6-2-1-3-7-18/h4-5,8-9,11H,1-3,6-7H2,(H,20,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50375837
PNG
(CHEMBL270976)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H18N2S/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(19(23)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,23)
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n/an/an/an/a 2n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404221
PNG
(CHEMBL285139)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1csc(c1)C#N
Show InChI InChI=1S/C18H16N2S2/c19-10-14-8-13(11-22-14)12-4-5-16-15(9-12)18(17(21)20-16)6-2-1-3-7-18/h4-5,8-9,11H,1-3,6-7H2,(H,20,21)
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n/an/an/an/a 0.300n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404222
PNG
(CHEMBL417475)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(s1)C#N
Show InChI InChI=1S/C18H16N2S2/c19-11-13-5-7-16(22-13)12-4-6-15-14(10-12)18(17(21)20-15)8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,20,21)
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n/an/an/an/a 1n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404226
PNG
(CHEMBL287428)
Show SMILES Fc1ccc(cc1F)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H17F2NS/c20-15-6-4-13(11-16(15)21)12-5-7-17-14(10-12)19(18(23)22-17)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9H2,(H,22,23)
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n/an/an/an/a 5.40n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404236
PNG
(CHEMBL28213)
Show SMILES CCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C21H22N2S2/c1-2-6-14-11-16(13-22)25-19(14)15-7-8-18-17(12-15)21(20(24)23-18)9-4-3-5-10-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404228
PNG
(CHEMBL28161)
Show SMILES Fc1cc(F)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H17F2NS/c20-14-8-13(9-15(21)11-14)12-4-5-17-16(10-12)19(18(23)22-17)6-2-1-3-7-19/h4-5,8-11H,1-3,6-7H2,(H,22,23)
PDB

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PC cid
PC sid
UniChem

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n/an/an/an/a 0.800n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404220
PNG
(CHEMBL25261)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=S)C3(CCC3)c2c1
Show InChI InChI=1S/C17H14ClNS/c18-13-4-1-3-11(9-13)12-5-6-15-14(10-12)17(7-2-8-17)16(20)19-15/h1,3-6,9-10H,2,7-8H2,(H,19,20)
PDB

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PC cid
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n/an/an/an/a 29n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404211
PNG
(CHEMBL25182)
Show SMILES CN1C(=S)C2(CCCCC2)c2cc(ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNS/c1-22-18-9-8-15(14-6-5-7-16(21)12-14)13-17(18)20(19(22)23)10-3-2-4-11-20/h5-9,12-13H,2-4,10-11H2,1H3
PDB

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n/an/an/an/a>3.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against glucocorticoid receptor in human lung A549 cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50404218
PNG
(CHEMBL27766)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(o1)C#N
Show InChI InChI=1S/C18H16N2OS/c19-11-13-5-7-16(21-13)12-4-6-15-14(10-12)18(17(22)20-15)8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/an/an/a 1.90n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells

Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%