BindingDB logo
myBDB logout

BDBM50415815 CHEMBL1092952

SMILES: Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl

InChI Key: InChIKey=AYVVQXQFVKEXMX-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50415815   
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))
BDBM50415815
PNG
(CHEMBL1092952)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 b...


J Med Chem 53: 3412-6 (2010)


Article DOI: 10.1021/jm901797p
BindingDB Entry DOI: 10.7270/Q2NP25P6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50415815
PNG
(CHEMBL1092952)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 ...


J Med Chem 53: 3412-6 (2010)


Article DOI: 10.1021/jm901797p
BindingDB Entry DOI: 10.7270/Q2NP25P6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50415815
PNG
(CHEMBL1092952)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay


J Med Chem 53: 3412-6 (2010)


Article DOI: 10.1021/jm901797p
BindingDB Entry DOI: 10.7270/Q2NP25P6
More data for this
Ligand-Target Pair