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BDBM35106 biarylether amide quinoline, 4f

InChI string: InChI=1S/C35H29F3N2O2/c36-35(37,38)31-17-9-16-30-32(27(23-39-33(30)31)20-24-10-3-1-4-11-24)25-12-7-14-28(21-25)42-29-15-8-13-26(22-29)34(41)40-18-5-2-6-19-40/h1,3-4,7-17,21-23H,2,5-6,18-20H2

SMILES: FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1

InChI Key: InChIKey=DDVQRICMCZPTNJ-UHFFFAOYSA-N

Data: 2 IC50  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 = 35106   
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))
BDBM35106
PNG
(biarylether amide quinoline, 4f)
Show SMILES FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C35H29F3N2O2/c36-35(37,38)31-17-9-16-30-32(27(23-39-33(30)31)20-24-10-3-1-4-11-24)25-12-7-14-28(21-25)42-29-15-8-13-26(22-29)34(41)40-18-5-2-6-19-40/h1,3-4,7-17,21-23H,2,5-6,18-20H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.90n/a 170n/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))
BDBM35106
PNG
(biarylether amide quinoline, 4f)
Show SMILES FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C35H29F3N2O2/c36-35(37,38)31-17-9-16-30-32(27(23-39-33(30)31)20-24-10-3-1-4-11-24)25-12-7-14-28(21-25)42-29-15-8-13-26(22-29)34(41)40-18-5-2-6-19-40/h1,3-4,7-17,21-23H,2,5-6,18-20H2
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 20n/a 477n/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