Found 3 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 |
|---|
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235932
(CHEMBL4065788)Show SMILES C[C@H](O)Cc1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1C(F)(F)F |r,wU:1.0,(10.44,-22.82,;11.97,-22.66,;12.88,-23.9,;12.6,-21.25,;11.7,-20,;10.16,-20,;9.69,-18.54,;8.22,-18.07,;7.9,-16.56,;7.08,-19.1,;5.61,-18.62,;5.3,-17.11,;3.84,-16.64,;2.69,-17.67,;3.02,-19.18,;4.48,-19.65,;1.22,-17.19,;.08,-18.23,;.44,-15.85,;1.99,-15.85,;10.93,-17.63,;10.93,-16.09,;12.18,-18.54,;13.64,-18.07,;14.78,-19.1,;16.24,-18.63,;16.57,-17.12,;18.03,-16.64,;15.41,-16.09,;13.95,-16.56,;12.81,-15.54,;13.12,-14.03,;11.34,-16.02,;11.71,-14.44,)| Show InChI InChI=1S/C23H22ClF3N2O4S/c1-13(30)10-17-12-19(22(31)28-16-5-7-18(8-6-16)34(3,32)33)14(2)29(17)21-9-4-15(24)11-20(21)23(25,26)27/h4-9,11-13,30H,10H2,1-3H3,(H,28,31)/t13-/m0/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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Antagonist activity at Gal4-fused human MR LBD (671 to 984 residues) expressed in African Green Monkey CV-1 cells assessed as inhibition of aldostero... |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235932
(CHEMBL4065788)Show SMILES C[C@H](O)Cc1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1C(F)(F)F |r,wU:1.0,(10.44,-22.82,;11.97,-22.66,;12.88,-23.9,;12.6,-21.25,;11.7,-20,;10.16,-20,;9.69,-18.54,;8.22,-18.07,;7.9,-16.56,;7.08,-19.1,;5.61,-18.62,;5.3,-17.11,;3.84,-16.64,;2.69,-17.67,;3.02,-19.18,;4.48,-19.65,;1.22,-17.19,;.08,-18.23,;.44,-15.85,;1.99,-15.85,;10.93,-17.63,;10.93,-16.09,;12.18,-18.54,;13.64,-18.07,;14.78,-19.1,;16.24,-18.63,;16.57,-17.12,;18.03,-16.64,;15.41,-16.09,;13.95,-16.56,;12.81,-15.54,;13.12,-14.03,;11.34,-16.02,;11.71,-14.44,)| Show InChI InChI=1S/C23H22ClF3N2O4S/c1-13(30)10-17-12-19(22(31)28-16-5-7-18(8-6-16)34(3,32)33)14(2)29(17)21-9-4-15(24)11-20(21)23(25,26)27/h4-9,11-13,30H,10H2,1-3H3,(H,28,31)/t13-/m0/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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Antagonist activity at Gal4-fused human MR LBD (671 to 984 residues) expressed in African Green Monkey CV-1 cells assessed as inhibition of aldostero... |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235932
(CHEMBL4065788)Show SMILES C[C@H](O)Cc1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1C(F)(F)F |r,wU:1.0,(10.44,-22.82,;11.97,-22.66,;12.88,-23.9,;12.6,-21.25,;11.7,-20,;10.16,-20,;9.69,-18.54,;8.22,-18.07,;7.9,-16.56,;7.08,-19.1,;5.61,-18.62,;5.3,-17.11,;3.84,-16.64,;2.69,-17.67,;3.02,-19.18,;4.48,-19.65,;1.22,-17.19,;.08,-18.23,;.44,-15.85,;1.99,-15.85,;10.93,-17.63,;10.93,-16.09,;12.18,-18.54,;13.64,-18.07,;14.78,-19.1,;16.24,-18.63,;16.57,-17.12,;18.03,-16.64,;15.41,-16.09,;13.95,-16.56,;12.81,-15.54,;13.12,-14.03,;11.34,-16.02,;11.71,-14.44,)| Show InChI InChI=1S/C23H22ClF3N2O4S/c1-13(30)10-17-12-19(22(31)28-16-5-7-18(8-6-16)34(3,32)33)14(2)29(17)21-9-4-15(24)11-20(21)23(25,26)27/h4-9,11-13,30H,10H2,1-3H3,(H,28,31)/t13-/m0/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Antagonist activity at Gal4-fused human MR LBD (671 to 984 residues) expressed in African Green Monkey CV-1 cells assessed as inhibition of aldostero... |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |