Found 8 hits with Last Name = 'marquet' and Initial = 'a' 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 |
Mineralocorticoid 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50407855
(CHEMBL2112397)Show SMILES CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10| Show InChI InChI=1S/C22H28N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-12,16-19H,3-10H2,1-2H3/t16-,17?,18+,19+,21?,22?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50407856
(CHEMBL2112398)Show SMILES C[C@@H](O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10| Show InChI InChI=1S/C22H30N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-13,16-19,25H,3-10H2,1-2H3/t13-,16-,17?,18+,19+,21?,22?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50520671
(CHEMBL4459971)Show SMILES CCc1nc(C)cn2nc(cc12)-c1cc(=O)n2cc(cc(C)c2n1)C1CCN(C)CC1 Show InChI InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG at 37 degC |
J Med Chem 61: 6501-6517 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00741 BindingDB Entry DOI: 10.7270/Q24171F3 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50407856
(CHEMBL2112398)Show SMILES C[C@@H](O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10| Show InChI InChI=1S/C22H30N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-13,16-19,25H,3-10H2,1-2H3/t13-,16-,17?,18+,19+,21?,22?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Affinity for recombinant Mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50407855
(CHEMBL2112397)Show SMILES CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10| Show InChI InChI=1S/C22H28N2O3/c1-13(25)17-5-6-19-16-4-3-14-11-15(26)7-9-21(14,2)18(16)8-10-22(17,19)20(27)12-24-23/h11-12,16-19H,3-10H2,1-2H3/t16-,17?,18+,19+,21?,22?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Affinity for recombinant Mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50422147
(CHEMBL97531)Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)[CH-][N+]#N |t:8| Show InChI InChI=1S/C21H28N2O2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(19(25)12-23-22)21(16,2)10-8-17(15)20/h11-12,15-18H,3-10H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Affinity for recombinant Mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | |
Mineralocorticoid 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a |
Université P. et M. Curie
Curated by ChEMBL
| Assay Description Affinity for recombinant Mineralocorticoid receptor |
J Med Chem 39: 2860-4 (1996)
Article DOI: 10.1021/jm9601359 BindingDB Entry DOI: 10.7270/Q2NK3D48 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |