Found 258 hits with Last Name = 'crombie' and Initial = 'd' 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)) | 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
| 0.580 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid 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
| 0.680 | 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 was determined for human glucocorticoid receptor(hGR). |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129719
(7-(3,5-Di-tert-butyl-2-methoxy-phenyl)-3-methyl-oc...)Show SMILES COc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C24H34O3/c1-16(13-21(25)26)11-10-12-17(2)19-14-18(23(3,4)5)15-20(22(19)27-9)24(6,7)8/h10-15H,1-9H3,(H,25,26)/b11-10+,16-13+,17-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129723
(7-[2-(2-Fluoro-ethoxy)-3,5-diisopropyl-phenyl]-3-m...)Show SMILES CC(C)c1cc(C(C)C)c(OCCF)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H31FO3/c1-15(2)19-13-20(16(3)4)23(27-11-10-24)21(14-19)18(6)9-7-8-17(5)12-22(25)26/h7-9,12-16H,10-11H2,1-6H3,(H,25,26)/b8-7+,17-12+,18-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 1 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129717
(7-(3,5-Diisopropyl-2-methoxy-phenyl)-3-methyl-octa...)Show SMILES COc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C22H30O3/c1-14(2)18-12-19(15(3)4)22(25-7)20(13-18)17(6)10-8-9-16(5)11-21(23)24/h8-15H,1-7H3,(H,23,24)/b9-8+,16-11+,17-10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
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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| 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) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50049515
((S)-4-Methylene-3-[2-[7a-methyl-1-((E)-1,4,5-trime...)Show SMILES CC(C)C(C)\C=C\C(C)C1CCC2\C(CCCC12C)=C\C=C1\C[C@@H](O)CCC1=C Show InChI InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20?,22?,25-,26?,27?,28?/m0/s1 | PDB
MMDB
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| 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 for human Androgen receptor |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129722
(7-[3,5-Bis-(1,1-dimethyl-propyl)-2-ethoxy-phenyl]-...)Show SMILES CCOc1c(cc(cc1C(C)(C)CC)C(C)(C)CC)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C27H40O3/c1-10-26(6,7)21-17-22(20(5)15-13-14-19(4)16-24(28)29)25(30-12-3)23(18-21)27(8,9)11-2/h13-18H,10-12H2,1-9H3,(H,28,29)/b14-13+,19-16+,20-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129730
(7-[3,5-Bis-(1,1-dimethyl-propyl)-2-methoxy-phenyl]...)Show SMILES CCC(C)(C)c1cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c(OC)c(c1)C(C)(C)CC Show InChI InChI=1S/C26H38O3/c1-10-25(5,6)20-16-21(19(4)14-12-13-18(3)15-23(27)28)24(29-9)22(17-20)26(7,8)11-2/h12-17H,10-11H2,1-9H3,(H,27,28)/b13-12+,18-15+,19-14- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129731
(7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phenyl]...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H30F2O3/c1-14(2)18-11-19(15(3)4)23(28-13-21(24)25)20(12-18)17(6)9-7-8-16(5)10-22(26)27/h7-12,14-15,21H,13H2,1-6H3,(H,26,27)/b8-7+,16-10+,17-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129726
((2E,4E,6Z)-7-(2-Ethoxy-3,5-diisopropyl-phenyl)-3-m...)Show SMILES CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C23H32O3/c1-8-26-23-20(16(4)5)13-19(15(2)3)14-21(23)18(7)11-9-10-17(6)12-22(24)25/h9-16H,8H2,1-7H3,(H,24,25)/b10-9+,17-12+,18-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 3 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129724
(7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa...)Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C24H34O3/c1-8-12-27-24-21(17(4)5)14-20(16(2)3)15-22(24)19(7)11-9-10-18(6)13-23(25)26/h9-11,13-17H,8,12H2,1-7H3,(H,25,26)/b10-9+,18-13+,19-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129733
(7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phen...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H29F3O3/c1-14(2)18-11-19(15(3)4)22(29-13-23(24,25)26)20(12-18)17(6)9-7-8-16(5)10-21(27)28/h7-12,14-15H,13H2,1-6H3,(H,27,28)/b8-7+,16-10+,17-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
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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| DrugBank
Article
PubMed
| 3.5 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129725
((2E,4E,6Z)-7-(2-Butoxy-3,5-diisopropyl-phenyl)-3-m...)Show SMILES CCCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C25H36O3/c1-8-9-13-28-25-22(18(4)5)15-21(17(2)3)16-23(25)20(7)12-10-11-19(6)14-24(26)27/h10-12,14-18H,8-9,13H2,1-7H3,(H,26,27)/b11-10+,19-14+,20-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
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
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| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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| DrugBank
PDB
Article
PubMed
| 5.5 | 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 was determined for human glucocorticoid receptor(hGR). |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen 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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| Article
PubMed
| 8.5 | 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 Androgen receptor |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
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
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| 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
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| 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 | |
Androgen 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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| Article
PubMed
| 11 | 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 determined against human Androgen receptor |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129728
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13- | PDB
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| Article
PubMed
| 11 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129718
(7-(3,5-Di-tert-butyl-2-propoxy-phenyl)-3-methyl-oc...)Show SMILES CCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C26H38O3/c1-10-14-29-24-21(19(3)13-11-12-18(2)15-23(27)28)16-20(25(4,5)6)17-22(24)26(7,8)9/h11-13,15-17H,10,14H2,1-9H3,(H,27,28)/b12-11+,18-15+,19-13- | PDB
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| Article
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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 against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
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 | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032671
(6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPH...)Show SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27) | PDB
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| MMDB
PDB
Article
PubMed
| 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049510
(Acetic acid 5-bromo-2-((1S,6R)-4,6-dimethyl-2-meth...)Show SMILES COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11| Show InChI InChI=1S/C19H23BrO3/c1-11-6-12(2)16(13(3)7-11)8-15-9-19(22-5)17(20)10-18(15)23-14(4)21/h6,9-10,13,16H,2,7-8H2,1,3-5H3/t13-,16-/m1/s1 | PDB
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| 21 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049508
(5-Bromo-4-methoxy-2-((1S,4R)-2,2,4-trimethyl-6-met...)Show SMILES COc1cc(C[C@@H]2C(=C)C[C@H](C)CC2(C)C)c(O)cc1Br Show InChI InChI=1S/C18H25BrO2/c1-11-6-12(2)14(18(3,4)10-11)7-13-8-17(21-5)15(19)9-16(13)20/h8-9,11,14,20H,2,6-7,10H2,1,3-5H3/t11-,14+/m0/s1 | PDB
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| 22 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129729
(7-[3,5-Bis-(1,1-dimethyl-propyl)-2-propoxy-phenyl]...)Show SMILES CCCOc1c(cc(cc1C(C)(C)CC)C(C)(C)CC)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C28H42O3/c1-10-16-31-26-23(21(5)15-13-14-20(4)17-25(29)30)18-22(27(6,7)11-2)19-24(26)28(8,9)12-3/h13-15,17-19H,10-12,16H2,1-9H3,(H,29,30)/b14-13+,20-17+,21-15- | PDB
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PubMed
| 23 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129727
(7-[3,5-Di-tert-butyl-2-(2,2,2-trifluoro-ethoxy)-ph...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H33F3O3/c1-16(12-21(29)30)10-9-11-17(2)19-13-18(23(3,4)5)14-20(24(6,7)8)22(19)31-15-25(26,27)28/h9-14H,15H2,1-8H3,(H,29,30)/b10-9+,16-12+,17-11- | PDB
MMDB
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Reactome pathway
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| 27 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129721
(7-[2-(2,2-Difluoro-ethoxy)-3,5-bis-(1,1-dimethyl-p...)Show SMILES CCC(C)(C)c1cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c(OCC(F)F)c(c1)C(C)(C)CC Show InChI InChI=1S/C27H38F2O3/c1-9-26(5,6)20-15-21(19(4)13-11-12-18(3)14-24(30)31)25(32-17-23(28)29)22(16-20)27(7,8)10-2/h11-16,23H,9-10,17H2,1-8H3,(H,30,31)/b12-11+,18-14+,19-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| 29 | 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 Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049505
(2-Methyl-1-nitro-4-(4,6,6-trimethyl-2-methylene-cy...)Show SMILES CC1=CC(=C)C(Cc2ccc(c(C)c2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C18H23NO2/c1-12-8-13(2)16(18(4,5)11-12)10-15-6-7-17(19(20)21)14(3)9-15/h6-9,16H,2,10-11H2,1,3-5H3 | PDB
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| 29 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid 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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| 31 | 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 was determined for human glucocorticoid receptor(hGR). |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049503
(5-Bromo-4-methoxy-2-(4,6,6-trimethyl-2-methylene-c...)Show SMILES COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:9| Show InChI InChI=1S/C18H23BrO2/c1-11-6-12(2)14(18(3,4)10-11)7-13-8-17(21-5)15(19)9-16(13)20/h6,8-9,14,20H,2,7,10H2,1,3-5H3 | PDB
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| 31 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049512
(5-Bromo-2-((S)-2,2-dimethyl-6-methylene-cyclohexyl...)Show InChI InChI=1S/C17H23BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h9-10,13,19H,1,5-8H2,2-4H3/t13-/m1/s1 | PDB
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| 34 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid 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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| 42 | 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 was determined for human glucocorticoid receptor(hGR). |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049486
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1| Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3 | PDB
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| 54 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049490
(Acetic acid 5-bromo-4-methoxy-2-(4,6,6-trimethyl-2...)Show SMILES COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:9| Show InChI InChI=1S/C20H25BrO3/c1-12-7-13(2)16(20(4,5)11-12)8-15-9-19(23-6)17(21)10-18(15)24-14(3)22/h7,9-10,16H,2,8,11H2,1,3-6H3 | PDB
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| 60 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049511
(5-Bromo-4-methoxy-2-((1S,2R)-2-methyl-6-methylene-...)Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m1/s1 | PDB
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| 69 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049513
(5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-...)Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m0/s1 | PDB
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| 71 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049493
(5-Bromo-2-(2,2-dimethyl-6-methylene-cyclohexylmeth...)Show InChI InChI=1S/C17H23BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h9-10,13,19H,1,5-8H2,2-4H3 | PDB
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| 77 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049507
(5-Bromo-2-((1S,2R,4R)-2,4-dimethyl-6-methylene-cyc...)Show SMILES COc1cc(C[C@H]2[C@H](C)C[C@@H](C)CC2=C)c(O)cc1Br Show InChI InChI=1S/C17H23BrO2/c1-10-5-11(2)14(12(3)6-10)7-13-8-17(20-4)15(18)9-16(13)19/h8-10,12,14,19H,2,5-7H2,1,3-4H3/t10-,12+,14+/m0/s1 | PDB
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| 84 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049492
(5-Bromo-4-methoxy-2-[(E)-3-(4,6,6-trimethyl-2-meth...)Show SMILES COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11| Show InChI InChI=1S/C20H25BrO2/c1-13-9-14(2)16(20(3,4)12-13)8-6-7-15-10-19(23-5)17(21)11-18(15)22/h6-7,9-11,16,22H,2,8,12H2,1,3-5H3/b7-6+ | PDB
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| 84 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049495
(5-(4,6,6-Trimethyl-2-methylene-cyclohex-3-enylmeth...)Show InChI InChI=1S/C17H20N2O/c1-11-7-12(2)14(17(3,4)10-11)8-13-5-6-15-16(9-13)19-20-18-15/h5-7,9,14H,2,8,10H2,1,3-4H3 | PDB
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| 88 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049496
(Acetic acid 5-bromo-4-methoxy-2-(5,5,7-trimethyl-s...)Show SMILES COc1cc(CC2C3(CC3)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:11| Show InChI InChI=1S/C21H27BrO3/c1-13-11-20(3,4)19(21(12-13)6-7-21)9-15-8-18(24-5)16(22)10-17(15)25-14(2)23/h8,10,12,19H,6-7,9,11H2,1-5H3 | PDB
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| 98 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Androgen 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
MMDB
NCI pathway
Reactome pathway
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| >100 | 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 Androgen receptor |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50049487
(5-Bromo-4-methoxy-2-(2,6,6-trimethyl-4-methylene-c...)Show SMILES COc1cc(CC2C(C)=CC(=C)CC2(C)C)c(O)cc1Br |c:8| Show InChI InChI=1S/C18H23BrO2/c1-11-6-12(2)14(18(3,4)10-11)7-13-8-17(21-5)15(19)9-16(13)20/h6,8-9,14,20H,1,7,10H2,2-5H3 | PDB
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| 109 | 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 determined for human Progesterone receptor A isoform |
J Med Chem 39: 1778-89 (1996)
Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2 |
More data for this
Ligand-Target Pair | |
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