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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 404263   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Mineralocorticoid receptor [729-984]


(Homo sapiens (Human))		BDBM404263
PNG
(2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...)
Show SMILES NC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H16FN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1 and A2: In order to identify binding to the human MR LBD a scintillation proximity assay (SPA) was adapted to the 384-well format. The MR-LBD...

US Patent US10017502 (2018)


BindingDB Entry DOI: 10.7270/Q2862JSV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM404263
PNG
(2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...)
Show SMILES NC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H16FN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 631n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay

J Med Chem 62: 1385-1406 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6
More data for this
Ligand-Target Pair