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BDBM50257939 CHEMBL4078083

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

InChI Key: InChIKey=GPONKGGQPMFNDI-AMPBYXCMSA-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 = 50257939   
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))
BDBM50257939
PNG
(CHEMBL4078083)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(=O)[C@@H](CC)C(C)C |r,t:9|
Show InChI InChI=1S/C29H48O2/c1-7-22(18(2)3)27(31)16-19(4)24-10-11-25-23-9-8-20-17-21(30)12-14-28(20,5)26(23)13-15-29(24,25)6/h8,18-19,21-26,30H,7,9-17H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.02E+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))
BDBM50257939
PNG
(CHEMBL4078083)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(=O)[C@@H](CC)C(C)C |r,t:9|
Show InChI InChI=1S/C29H48O2/c1-7-22(18(2)3)27(31)16-19(4)24-10-11-25-23-9-8-20-17-21(30)12-14-28(20,5)26(23)13-15-29(24,25)6/h8,18-19,21-26,30H,7,9-17H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
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 1.45E+4n/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