Found 885 hits with Last Name = 'poole' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Progesterone receptor
(Homo sapiens (Human)) | BDBM50065585
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(11.28,-6.52,;12.62,-7.29,;13.95,-8.06,;13.95,-9.6,;13.94,-11.14,;15.28,-8.83,;12.61,-10.37,;11.28,-9.6,;9.94,-10.37,;8.61,-9.57,;8.62,-8.05,;7.29,-7.28,;5.96,-8.06,;4.63,-7.29,;3.29,-8.06,;4.63,-5.74,;5.96,-4.97,;7.29,-5.74,;8.62,-4.95,;9.96,-5.74,;11.3,-4.98,;11.3,-3.44,;12.63,-2.67,;13.96,-3.44,;15.31,-2.68,;13.96,-4.99,;15.29,-5.76,;12.63,-5.75,;9.96,-7.29,;11.28,-8.06,)| Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50065585
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(11.28,-6.52,;12.62,-7.29,;13.95,-8.06,;13.95,-9.6,;13.94,-11.14,;15.28,-8.83,;12.61,-10.37,;11.28,-9.6,;9.94,-10.37,;8.61,-9.57,;8.62,-8.05,;7.29,-7.28,;5.96,-8.06,;4.63,-7.29,;3.29,-8.06,;4.63,-5.74,;5.96,-4.97,;7.29,-5.74,;8.62,-4.95,;9.96,-5.74,;11.3,-4.98,;11.3,-3.44,;12.63,-2.67,;13.96,-3.44,;15.31,-2.68,;13.96,-4.99,;15.29,-5.76,;12.63,-5.75,;9.96,-7.29,;11.28,-8.06,)| Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3 | PDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50062430
(9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1| Show InChI InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3 | PDB
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| CHEMBL
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| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50062429
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(9.99,-5.01,;11.32,-5.78,;12.66,-6.55,;12.66,-8.1,;12.66,-9.64,;13.99,-7.33,;11.32,-8.86,;9.99,-8.07,;8.64,-8.86,;7.3,-8.07,;7.33,-6.55,;5.97,-5.78,;4.64,-6.55,;3.3,-5.78,;1.97,-6.55,;3.3,-4.23,;4.64,-3.46,;5.99,-4.23,;7.33,-3.44,;8.66,-4.23,;9.99,-3.46,;9.99,-1.93,;11.32,-1.15,;12.68,-1.93,;14.01,-1.17,;12.66,-3.48,;14.01,-4.26,;11.32,-4.24,;8.66,-5.78,;9.99,-6.55,)| Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3 | PDB
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| Article
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50062439
(9-Chloro-5-(4-chloro-3-methyl-phenyl)-2,2,4-trimet...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(12.82,-5.82,;14.16,-6.59,;15.49,-7.36,;15.49,-8.9,;15.48,-10.44,;16.82,-8.13,;14.15,-9.66,;12.82,-8.89,;11.48,-9.66,;10.15,-8.87,;10.16,-7.35,;8.82,-6.58,;7.49,-7.35,;6.16,-6.58,;4.83,-7.35,;6.16,-5.04,;7.49,-4.27,;8.83,-5.04,;10.16,-4.25,;11.5,-5.04,;12.83,-4.27,;12.83,-2.74,;14.16,-1.97,;15.5,-2.74,;16.85,-1.98,;15.49,-4.29,;16.83,-5.06,;14.16,-5.05,;11.5,-6.58,;12.82,-7.35,)| Show InChI InChI=1S/C26H23Cl2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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| DrugBank
PDB
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072024
((11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-h...)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 |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+/m1/s1 | PDB
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| PDB
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072018
(5,8-difluoro-2,2,4-trimethyl-2,10-dihydro-1H-inden...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4cc(F)ccc4-c3c(F)c12 |t:1| Show InChI InChI=1S/C19H17F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-5,7-9,22H,6H2,1-3H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity against human progesterone receptor B (hPR-B) in cotransfected CV-1 cells |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071997
(7-Fluoro-2,2,4-trimethyl-8-nitro-2,10-dihydro-1H-i...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4cc(c(F)cc4-c3cc12)[N+]([O-])=O |t:1| Show InChI InChI=1S/C19H17FN2O2/c1-10-9-19(2,3)21-17-5-11-4-12-6-18(22(23)24)16(20)8-15(12)14(11)7-13(10)17/h5-9,21H,4H2,1-3H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | PDB
MMDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor expressed COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072007
(9-Fluoro-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4c(cccc4F)-c3cc12 |t:1| Show InChI InChI=1S/C19H18FN/c1-11-10-19(2,3)21-18-8-12-7-16-13(5-4-6-17(16)20)15(12)9-14(11)18/h4-6,8-10,21H,7H2,1-3H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072014
(6,9-difluoro-2,2,4-trimethyl-2,10-dihydro-1H-inden...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4c(-c3cc12)c(F)ccc4F |t:1| Show InChI InChI=1S/C19H17F2N/c1-10-9-19(2,3)22-17-7-11-6-14-15(20)4-5-16(21)18(14)13(11)8-12(10)17/h4-5,7-9,22H,6H2,1-3H3 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071990
(8-Fluoro-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4cc(F)ccc4-c3cc12 |t:1| Show InChI InChI=1S/C19H18FN/c1-11-10-19(2,3)21-18-8-13-6-12-7-14(20)4-5-15(12)17(13)9-16(11)18/h4-5,7-10,21H,6H2,1-3H3 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072010
(2,2,4-trimethyl-8-nitro-2,10-dihydro-1H-indeno[1,2...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4cc(ccc4-c3cc12)[N+]([O-])=O |t:1| Show InChI InChI=1S/C19H18N2O2/c1-11-10-19(2,3)20-18-8-13-6-12-7-14(21(22)23)4-5-15(12)17(13)9-16(11)18/h4-5,7-10,20H,6H2,1-3H3 | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM8903
((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 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069069
((5bR,9aR)-1-Methyl-4-trifluoromethyl-1,5b,6,7,8,9,...)Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50066524
(6-(3-Fluoro-5-nitro-phenyl)-2,2,4-trimethyl-1,2-di...)Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C18H17FN2O2/c1-11-10-18(2,3)20-17-5-4-12(8-16(11)17)13-6-14(19)9-15(7-13)21(22)23/h4-10,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069071
((5bR,9aR)-4-Trifluoromethyl-1,5b,6,7,8,9,9a,10-oct...)Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)11-6-15(22)21-14-7-13-9(5-10(11)14)8-3-1-2-4-12(8)20-13/h5-8,12,20H,1-4H2,(H,21,22)/t8-,12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069065
((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...)Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50062430
(9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-d...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1| Show InChI InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human glucocorticoid receptor expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069066
((R)-2,8-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahy...)Show InChI InChI=1S/C14H13F3N2O/c1-7-3-8-4-9-10(14(15,16)17)5-13(20)19(2)12(9)6-11(8)18-7/h4-7,18H,3H2,1-2H3/t7-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069083
((5bR,9aR)-1,5b-Dimethyl-4-trifluoromethyl-1,5b,6,7...)Show SMILES Cn1c2cc3N[C@@H]4CCCC[C@]4(C)c3cc2c(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-17-6-4-3-5-15(17)22-13-9-14-10(7-12(13)17)11(18(19,20)21)8-16(24)23(14)2/h7-9,15,22H,3-6H2,1-2H3/t15-,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069072
((R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-...)Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)11-5-9-10(16(17,18)19)6-14(22)21(4)13(9)7-12(11)20-8/h5-8,20H,1-4H3/t8-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM471715
((R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-fluoro-4-phe...)Show SMILES Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-.35,;4.19,-3.02,;5.73,-3.02,;6.5,-4.35,;8.04,-4.35,;8.81,-3.02,;8.04,-1.68,;6.5,-1.68,;8.81,-.35,;8.04,.98,;10.35,-.35,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00044
BindingDB Entry DOI: 10.7270/Q25D8WM5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069074
((2R,3R)-2,3,8-Trimethyl-5-trifluoromethyl-1,2,3,8-...)Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2[C@H]1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-8(2)19-12-6-13-10(4-9(7)12)11(15(16,17)18)5-14(21)20(13)3/h4-8,19H,1-3H3/t7-,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069070
((5bR,9aR)-1,10-Dimethyl-4-trifluoromethyl-1,5b,6,7...)Show SMILES CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O/c1-22-14-6-4-3-5-10(14)11-7-12-13(18(19,20)21)8-17(24)23(2)16(12)9-15(11)22/h7-10,14H,3-6H2,1-2H3/t10-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069068
((R)-2-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...)Show InChI InChI=1S/C13H11F3N2O/c1-6-2-7-3-8-9(13(14,15)16)4-12(19)18-11(8)5-10(7)17-6/h3-6,17H,2H2,1H3,(H,18,19)/t6-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50066522
(6-(3,5-Difluoro-phenyl)-2,2,4-trimethyl-1,2-dihydr...)Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(F)c1 |t:1| Show InChI InChI=1S/C18H17F2N/c1-11-10-18(2,3)21-17-5-4-12(8-16(11)17)13-6-14(19)9-15(20)7-13/h4-10,21H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50066526
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1| Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071995
(6-fluoro-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4cccc(F)c4-c3cc12 |t:1| Show InChI InChI=1S/C19H18FN/c1-11-10-19(2,3)21-17-8-13-7-12-5-4-6-16(20)18(12)15(13)9-14(11)17/h4-6,8-10,21H,7H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071988
((2,2,4-Trimethyl-2,10-dihydro-1H-indeno[1,2-g]quin...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4c(cccc4CO)-c3cc12 |t:1| Show InChI InChI=1S/C20H21NO/c1-12-10-20(2,3)21-19-8-14-7-17-13(11-22)5-4-6-15(17)18(14)9-16(12)19/h4-6,8-10,21-22H,7,11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM467364
((R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-chloro-4-phe...)Show SMILES Clc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,3.85,;-3.29,3.08,;-4.62,3.85,;-5.95,3.08,;-7.29,3.85,;-8.62,3.08,;-9.95,3.85,;-11.29,3.08,;-11.29,1.54,;-9.95,.77,;-8.62,1.54,;-5.95,1.54,;-4.62,.77,;-3.29,1.54,;-1.95,.77,;-1.95,-.77,;-3.29,-1.54,;-3.29,-3.08,;-1.95,-3.85,;-.62,-3.08,;.72,-3.85,;2.05,-2.07,;3.59,-2.07,;4.36,-3.41,;4.36,-.74,;5.9,-.74,;6.67,-2.07,;8.21,-2.07,;8.98,-.74,;8.21,.59,;6.67,.59,;8.98,1.93,;8.21,3.26,;10.52,1.93,;11.29,.59,;.72,-.77,;.72,.77,;-.62,1.54,;-.62,3.08,;-.62,-1.54,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00044
BindingDB Entry DOI: 10.7270/Q25D8WM5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50569791
(CHEMBL4846828)Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC(=O)C=C)C4)c([nH]c1=O)c23 |r,wU:28.30,wD:25.26,(55.67,-29.88,;55.67,-28.34,;54.33,-27.57,;54.33,-26.03,;53,-25.26,;53,-23.72,;54.34,-22.95,;54.34,-21.41,;53,-20.64,;51.67,-21.42,;51.67,-22.95,;55.66,-25.25,;57,-26.02,;57,-27.57,;58.33,-28.34,;58.34,-29.88,;57.02,-30.64,;57.01,-32.16,;58.34,-32.93,;59.66,-32.16,;61.52,-32.32,;62.15,-30.91,;63.65,-30.59,;64.68,-31.74,;64.13,-29.13,;65.64,-28.81,;66.26,-27.4,;67.79,-27.56,;68.11,-29.07,;69.52,-29.7,;70.76,-28.79,;70.61,-27.26,;72.17,-29.42,;73.42,-28.52,;66.78,-29.84,;61,-29.88,;61,-28.34,;59.66,-27.56,;59.66,-26.02,;59.67,-30.65,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00044
BindingDB Entry DOI: 10.7270/Q25D8WM5 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071989
(1,3,3-trimethyl-4,11-dihydro-3H-indeno[2,1-f]quino...)Show SMILES CC1=CC(C)(C)Nc2ccc-3c(Cc4ccccc-34)c12 |t:1| Show InChI InChI=1S/C19H19N/c1-12-11-19(2,3)20-17-9-8-15-14-7-5-4-6-13(14)10-16(15)18(12)17/h4-9,11,20H,10H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072005
(2,2,4-Trimethyl-2,10-dihydro-1H-indeno[1,2-g]quino...)Show InChI InChI=1S/C19H19N/c1-12-11-19(2,3)20-18-9-14-8-13-6-4-5-7-15(13)17(14)10-16(12)18/h4-7,9-11,20H,8H2,1-3H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50062439
(9-Chloro-5-(4-chloro-3-methyl-phenyl)-2,2,4-trimet...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(12.82,-5.82,;14.16,-6.59,;15.49,-7.36,;15.49,-8.9,;15.48,-10.44,;16.82,-8.13,;14.15,-9.66,;12.82,-8.89,;11.48,-9.66,;10.15,-8.87,;10.16,-7.35,;8.82,-6.58,;7.49,-7.35,;6.16,-6.58,;4.83,-7.35,;6.16,-5.04,;7.49,-4.27,;8.83,-5.04,;10.16,-4.25,;11.5,-5.04,;12.83,-4.27,;12.83,-2.74,;14.16,-1.97,;15.5,-2.74,;16.85,-1.98,;15.49,-4.29,;16.83,-5.06,;14.16,-5.05,;11.5,-6.58,;12.82,-7.35,)| Show InChI InChI=1S/C26H23Cl2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human glucocorticoid receptor expressed in CV-1 cells |
J Med Chem 41: 2779-85 (1998)
Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM485273
(N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...)Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)| | PDB
MMDB
NCI pathway
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00044
BindingDB Entry DOI: 10.7270/Q25D8WM5 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071986
(10-Fluoro-1,3,3-trimethyl-4,11-dihydro-3H-indeno[2...)Show SMILES CC1=CC(C)(C)Nc2ccc-3c(Cc4c-3cccc4F)c12 |t:1| Show InChI InChI=1S/C19H18FN/c1-11-10-19(2,3)21-17-8-7-13-12-5-4-6-16(20)14(12)9-15(13)18(11)17/h4-8,10,21H,9H2,1-3H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069079
((S)-3-Methyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...)Show InChI InChI=1S/C13H11F3N2O/c1-6-5-17-10-4-11-8(2-7(6)10)9(13(14,15)16)3-12(19)18-11/h2-4,6,17H,5H2,1H3,(H,18,19)/t6-/m1/s1 | PDB
MMDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity (IC50) against human androgen receptor (hAR) in cotransfected CV-1 cell |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50366558
(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 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50066529
(3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-benz...)Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)C#N |t:1| Show InChI InChI=1S/C19H18N2/c1-13-11-19(2,3)21-18-8-7-16(10-17(13)18)15-6-4-5-14(9-15)12-20/h4-11,21H,1-3H3 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50066523
(2,2,4-Trimethyl-6-(3-nitro-phenyl)-1,2-dihydro-qui...)Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C18H18N2O2/c1-12-11-18(2,3)19-17-8-7-14(10-16(12)17)13-5-4-6-15(9-13)20(21)22/h4-11,19H,1-3H3 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against Baculovirus-Expressed hPR-A |
J Med Chem 41: 3461-6 (1998)
Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069076
((R)-2,3,3-Trimethyl-5-trifluoromethyl-1,2,3,8-tetr...)Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C1(C)C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-14(2,3)10-4-8-9(15(16,17)18)5-13(21)20-11(8)6-12(10)19-7/h4-7,19H,1-3H3,(H,20,21)/t7-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50071993
(6,9-Difluoro-1,3,3-trimethyl-4,11-dihydro-3H-inden...)Show SMILES CC1=CC(C)(C)Nc2cc(F)c-3c(Cc4cc(F)ccc-34)c12 |t:1| Show InChI InChI=1S/C19H17F2N/c1-10-9-19(2,3)22-16-8-15(21)18-13-5-4-12(20)6-11(13)7-14(18)17(10)16/h4-6,8-9,22H,7H2,1-3H3 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against human progesterone receptor-A (hPR-A) |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069062
((5bR,9aR)-5b-Methyl-4-trifluoromethyl-1,5b,6,7,8,9...)Show SMILES C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-16-5-3-2-4-14(16)21-13-8-12-9(6-11(13)16)10(17(18,19)20)7-15(23)22-12/h6-8,14,21H,2-5H2,1H3,(H,22,23)/t14-,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM468103
((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(6-(cyclop...)Show SMILES Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.92,5.75,;-3.25,4.98,;-4.59,5.75,;-5.92,4.98,;-7.25,5.75,;-8.59,4.98,;-9.99,5.6,;-11.02,4.46,;-10.25,3.13,;-8.75,3.45,;-5.92,3.44,;-4.59,2.67,;-3.25,3.44,;-1.92,2.67,;-1.92,1.13,;-3.25,.36,;-3.25,-1.18,;-1.92,-1.95,;-.59,-1.18,;.88,-1.66,;1.78,-.41,;3.32,-.41,;4.09,.92,;4.09,-1.75,;5.63,-1.75,;6.4,-.41,;7.94,-.41,;8.71,-1.75,;7.94,-3.08,;6.4,-3.08,;8.71,-4.41,;7.94,-5.75,;10.25,-4.41,;11.02,-5.75,;.75,1.13,;.75,2.67,;-.59,3.44,;-.59,4.98,;-.59,.36,)| | PDB
MMDB
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Reactome pathway
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01026
BindingDB Entry DOI: 10.7270/Q2MK6HZ3 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069075
((5bR,7S,9aR)-7-Methyl-4-trifluoromethyl-1,5b,6,7,8...)Show SMILES C[C@H]1CC[C@H]2Nc3cc4[nH]c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O/c1-8-2-3-13-9(4-8)10-5-11-12(17(18,19)20)6-16(23)22-15(11)7-14(10)21-13/h5-9,13,21H,2-4H2,1H3,(H,22,23)/t8-,9+,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
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UniChem
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072004
(8-bromo-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,2...)Show SMILES CC1=CC(C)(C)Nc2cc3Cc4cc(Br)ccc4-c3cc12 |t:1| Show InChI InChI=1S/C19H18BrN/c1-11-10-19(2,3)21-18-8-13-6-12-7-14(20)4-5-15(12)17(13)9-16(11)18/h4-5,7-10,21H,6H2,1-3H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity against human progesterone receptor B (hPR-B) in cotransfected CV-1 cells |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50072013
(6,8-Difluoro-2,2,4-trimethyl-2,10-dihydro-1H-inden...)Show SMILES CC1=CC(C)(C)Nc2cc3C(O)c4cc(F)cc(F)c4-c3cc12 |t:1| Show InChI InChI=1S/C19H17F2NO/c1-9-8-19(2,3)22-16-7-13-12(6-11(9)16)17-14(18(13)23)4-10(20)5-15(17)21/h4-8,18,22-23H,1-3H3 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity against human progesterone receptor B (hPR-B) in cotransfected CV-1 cells |
Bioorg Med Chem Lett 8: 2731-6 (1999)
BindingDB Entry DOI: 10.7270/Q2QF8S1M |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50069080
(3,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-...)Show InChI InChI=1S/C14H13F3N2O/c1-13(2)6-18-11-5-10-7(3-9(11)13)8(14(15,16)17)4-12(20)19-10/h3-5,18H,6H2,1-2H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against Androgen receptor transfected into COS cells |
Bioorg Med Chem Lett 8: 745-50 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5THG |
More data for this
Ligand-Target Pair | |
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