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BDBM50257929 CHEMBL4097209

SMILES: [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C

InChI Key: InChIKey=QQLHWAKALUIDKJ-NDAXQORBSA-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 = 50257929   
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))
BDBM50257929
PNG
(CHEMBL4097209)
Show SMILES [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C |r,t:14,16|
Show InChI InChI=1S/C28H44O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7-8,16-18,20,22-26,29H,9-15H2,1-6H3/t17-,18+,20+,22-,23+,24+,25-,26-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 7.20E+3n/an/an/an/a



Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy.

Curated by ChEMBL


Assay Description
Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


J Med Chem 60: 6548-6562 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00091
BindingDB Entry DOI: 10.7270/Q2GH9MDC
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50257929
PNG
(CHEMBL4097209)
Show SMILES [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C |r,t:14,16|
Show InChI InChI=1S/C28H44O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7-8,16-18,20,22-26,29H,9-15H2,1-6H3/t17-,18+,20+,22-,23+,24+,25-,26-,27+,28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/an/an/a 4.11E+3n/an/an/an/a



Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy.

Curated by ChEMBL


Assay Description
Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


J Med Chem 60: 6548-6562 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00091
BindingDB Entry DOI: 10.7270/Q2GH9MDC
More data for this
Ligand-Target Pair