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BDBM20138 5-(4-chlorophenyl)-2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-3-[(2,4,6-trifluorophenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole::N-Acylthiadiazoline, 13

SMILES: Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1

InChI Key: InChIKey=IUOGEZKRWWZZDU-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 20138   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20138
PNG
(5-(4-chlorophenyl)-2-(2,2-difluoro-2H-1,3-benzodio...)
Show SMILES Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1 |c:9|
Show InChI InChI=1S/C22H10ClF5N2O3S/c23-11-6-4-10(5-7-11)19-29-30(20(31)17-14(25)8-12(24)9-15(17)26)21(34-19)13-2-1-3-16-18(13)33-22(27,28)32-16/h1-9,21H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 800n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20138
PNG
(5-(4-chlorophenyl)-2-(2,2-difluoro-2H-1,3-benzodio...)
Show SMILES Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1 |c:9|
Show InChI InChI=1S/C22H10ClF5N2O3S/c23-11-6-4-10(5-7-11)19-29-30(20(31)17-14(25)8-12(24)9-15(17)26)21(34-19)13-2-1-3-16-18(13)33-22(27,28)32-16/h1-9,21H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.90E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair