Found 11 hits in this display 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 |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation
Curated by ChEMBL
| Assay Description Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen... |
J Med Chem 33: 1919-24 (1990)
BindingDB Entry DOI: 10.7270/Q2VD701M |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank MMDB PDB Article PubMed
| 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 androgen receptor in transiently-transfected COS-1 cells. |
J Med Chem 41: 623-39 (1998)
Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
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| PubMed
| 636 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation
Curated by ChEMBL
| Assay Description Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal membranes using [3H]-CGS- 21680 |
J Med Chem 33: 1919-24 (1990)
BindingDB Entry DOI: 10.7270/Q2VD701M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes without GTP |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells. |
J Med Chem 41: 623-39 (1998)
Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes with GTP |
J Med Chem 47: 2243-55 (2004)
Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human AR AF2 assessed as inhibition of fluorescent-labelled D11-FxxLF peptide Co-activator to receptor by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01938 BindingDB Entry DOI: 10.7270/Q27085BC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) |
J Med Chem 48: 5666-74 (2005)
Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells. |
J Med Chem 41: 623-39 (1998)
Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| MMDB PDB PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of [3H]-R-1881 binding to rat ventral prostrate cytosolic androgen receptor |
J Med Chem 43: 4629-35 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HC6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein LANA1
(Human herpesvirus 8) | BDBM50094569
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12| Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PCBioAssay
| n/a | n/a | n/a | n/a | >7.50E+4 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2HH6HHN |
More data for this Ligand-Target Pair | |