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PubMed code 12238914

Compile data set for download or QSAR
Found 48 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


(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
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n/an/a 0.130n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
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n/an/a 0.300n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Progesterone Receptor (PR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
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n/an/a 0.300n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
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n/an/a 0.800n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Glucocorticoid Receptor (GR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))		BDBM50118693
PNG
(6-(3-Chloro-5-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)13-7-9(3-4-14(13)19-15(20)21-16)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 2.60n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118698
PNG
(6-(3-Fluoro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H14FNO2/c1-16(2)13-9-11(10-4-3-5-12(17)8-10)6-7-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 3.80n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Androgen 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
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n/an/a 5n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Androgen Receptor (AR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118688
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 6.70n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Progesterone Receptor (PR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118688
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 6.70n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 8n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118698
PNG
(6-(3-Fluoro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H14FNO2/c1-16(2)13-9-11(10-4-3-5-12(17)8-10)6-7-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 8.20n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118700
PNG
(6-(3-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)13-9-11(10-4-3-5-12(17)8-10)6-7-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 9.30n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118695
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H14N2O2/c1-17(2)14-9-13(6-7-15(14)19-16(20)21-17)12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,20)
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n/an/a 9.90n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118696
PNG
(5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)
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n/an/a 15.1n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118690
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
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n/an/a 15.9n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118690
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
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n/an/a 15.9n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Progesterone Receptor (PR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118695
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H14N2O2/c1-17(2)14-9-13(6-7-15(14)19-16(20)21-17)12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,20)
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n/an/a 17n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118697
PNG
(6-(3-Methoxy-phenyl)-4,4-dimethyl-1,4-dihydro-benz...)
Show SMILES COc1cccc(c1)-c1ccc2NC(=O)OC(C)(C)c2c1
Show InChI InChI=1S/C17H17NO3/c1-17(2)14-10-12(7-8-15(14)18-16(19)21-17)11-5-4-6-13(9-11)20-3/h4-10H,1-3H3,(H,18,19)
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n/an/a 19.5n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118691
PNG
(6-(3-Chloro-4-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)11-7-9(4-6-14(11)19-15(20)21-16)10-3-5-13(18)12(17)8-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 23n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118689
PNG
(3-Fluoro-5-(8-fluoro-4,4-dimethyl-2-oxo-1,4-dihydr...)
Show SMILES CC1(C)OC(=O)Nc2c(F)cc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H12F2N2O2/c1-17(2)13-6-11(7-14(19)15(13)21-16(22)23-17)10-3-9(8-20)4-12(18)5-10/h3-7H,1-2H3,(H,21,22)
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n/an/a 26.2n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118692
PNG
(6-(4-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)13-9-11(10-3-6-12(17)7-4-10)5-8-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118700
PNG
(6-(3-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)13-9-11(10-4-3-5-12(17)8-10)6-7-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118691
PNG
(6-(3-Chloro-4-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)11-7-9(4-6-14(11)19-15(20)21-16)10-3-5-13(18)12(17)8-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 37n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Progesterone Receptor (PR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118691
PNG
(6-(3-Chloro-4-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)11-7-9(4-6-14(11)19-15(20)21-16)10-3-5-13(18)12(17)8-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 37n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118697
PNG
(6-(3-Methoxy-phenyl)-4,4-dimethyl-1,4-dihydro-benz...)
Show SMILES COc1cccc(c1)-c1ccc2NC(=O)OC(C)(C)c2c1
Show InChI InChI=1S/C17H17NO3/c1-17(2)14-10-12(7-8-15(14)18-16(19)21-17)11-5-4-6-13(9-11)20-3/h4-10H,1-3H3,(H,18,19)
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n/an/a 38.3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 40.2n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Progesterone Receptor (PR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 40.2n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118696
PNG
(5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)
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n/an/a 55n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118689
PNG
(3-Fluoro-5-(8-fluoro-4,4-dimethyl-2-oxo-1,4-dihydr...)
Show SMILES CC1(C)OC(=O)Nc2c(F)cc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H12F2N2O2/c1-17(2)13-6-11(7-14(19)15(13)21-16(22)23-17)10-3-9(8-20)4-12(18)5-10/h3-7H,1-2H3,(H,21,22)
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n/an/a 98.8n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 129n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Androgen Receptor (AR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50118691
PNG
(6-(3-Chloro-4-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)11-7-9(4-6-14(11)19-15(20)21-16)10-3-5-13(18)12(17)8-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 207n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Androgen Receptor (AR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50118688
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 280n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Androgen Receptor (AR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118699
PNG
(6-(2-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)12-9-10(11-5-3-4-6-13(11)17)7-8-14(12)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 300n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118699
PNG
(6-(2-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)12-9-10(11-5-3-4-6-13(11)17)7-8-14(12)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118692
PNG
(6-(4-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)13-9-11(10-3-6-12(17)7-4-10)5-8-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
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n/an/a 642n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Mineralocorticoid 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
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n/an/a>1.00E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Mineralocorticoid Receptor (MR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50118690
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Androgen Receptor (AR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50118688
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Mineralocorticoid Receptor (MR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50118690
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Glucocorticoid Receptor (GR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50118688
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Glucocorticoid Receptor (GR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50118690
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
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n/an/a 2.37E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Mineralocorticoid Receptor (MR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50118691
PNG
(6-(3-Chloro-4-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)11-7-9(4-6-14(11)19-15(20)21-16)10-3-5-13(18)12(17)8-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Mineralocorticoid Receptor (MR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50118691
PNG
(6-(3-Chloro-4-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)11-7-9(4-6-14(11)19-15(20)21-16)10-3-5-13(18)12(17)8-10/h3-8H,1-2H3,(H,19,20)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Glucocorticoid Receptor (GR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Glucocorticoid Receptor (GR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against the Mineralocorticoid Receptor (MR)

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118690
PNG
(3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
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n/an/an/an/a 90n/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Agonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118688
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
Show InChI InChI=1S/C15H12N2O2S/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(18)19-15/h3-6,8H,1-2H3,(H,17,18)
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n/an/an/an/a 61.1n/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Agonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50118693
PNG
(6-(3-Chloro-5-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)13-7-9(3-4-14(13)19-15(20)21-16)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,20)
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n/an/an/an/a 500n/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Agonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line

J Med Chem 45: 4379-82 (2002)


BindingDB Entry DOI: 10.7270/Q22F7P5W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%