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BDBM20029 (5Z)-5-({4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one::rhodanine, 41

InChI string: InChI=1S/C34H22F3N3O2S2/c35-34(36,37)27-11-5-10-25-29(26(19-39-30(25)27)31(41)22-6-2-1-3-7-22)23-8-4-9-24(17-23)38-18-21-14-12-20(13-15-21)16-28-32(42)40-33(43)44-28/h1-17,19,38H,18H2,(H,40,42,43)/b28-16-

SMILES: FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=S)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1

InChI Key: InChIKey=WXKZUGIMAGOYQL-NTFVMDSBSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 20029   
Target
(Institution)
LigandTarget
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
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM20029
PNG
((5Z)-5-({4-[({3-[3-benzoyl-8-(trifluoromethyl)quin...)
Show SMILES FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=S)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C34H22F3N3O2S2/c35-34(36,37)27-11-5-10-25-29(26(19-39-30(25)27)31(41)22-6-2-1-3-7-22)23-8-4-9-24(17-23)38-18-21-14-12-20(13-15-21)16-28-32(42)40-33(43)44-28/h1-17,19,38H,18H2,(H,40,42,43)/b28-16-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 310n/a 286n/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Citation and Details
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20029
PNG
((5Z)-5-({4-[({3-[3-benzoyl-8-(trifluoromethyl)quin...)
Show SMILES FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=S)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C34H22F3N3O2S2/c35-34(36,37)27-11-5-10-25-29(26(19-39-30(25)27)31(41)22-6-2-1-3-7-22)23-8-4-9-24(17-23)38-18-21-14-12-20(13-15-21)16-28-32(42)40-33(43)44-28/h1-17,19,38H,18H2,(H,40,42,43)/b28-16-
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 479n/an/an/an/a7.44



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Citation and Details
More data for this
Ligand-Target Pair