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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50455952'   
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


(Homo sapiens (Human))		BDBM50455952
PNG
(CHEMBL4217175)
Show SMILES [H][C@]12CN(Cc3ccc(CSc4ccc(O)cc4)cc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:45,t:41|
Show InChI InChI=1S/C37H41F2NO5S/c1-34-12-11-26(43)14-30(34)31(38)15-29-28-13-24-18-40(21-36(24,33(45)19-41)35(28,2)16-32(44)37(29,34)39)17-22-3-5-23(6-4-22)20-46-27-9-7-25(42)8-10-27/h3-12,14,24,28-29,31-32,41-42,44H,13,15-21H2,1-2H3/t24-,28-,29-,31-,32-,34-,35-,36+,37-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminesce...

J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair