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BDBM50341380 CHEMBL4163622

SMILES: [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1

InChI Key: InChIKey=CUKBEVXJULALEW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50341380   
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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50341380
PNG
(CHEMBL4163622)
Show SMILES [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1
Show InChI InChI=1S/C17H19NO3/c1-11(2)12(3)13-4-6-14(7-5-13)15-10-18-16(21-15)8-9-17(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
PDB
MMDB

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Article
PubMed
n/an/an/an/a 1.40E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay


J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50341380
PNG
(CHEMBL4163622)
Show SMILES [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1
Show InChI InChI=1S/C17H19NO3/c1-11(2)12(3)13-4-6-14(7-5-13)15-10-18-16(21-15)8-9-17(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
PDB
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Article
PubMed
n/an/an/an/a 1.60E+4n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay


J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50341380
PNG
(CHEMBL4163622)
Show SMILES [#6]\[#6](-[#6])=[#6](/[#6])-c1ccc(cc1)-c1cnc(-[#6]-[#6]-[#6](-[#8])=O)o1
Show InChI InChI=1S/C17H19NO3/c1-11(2)12(3)13-4-6-14(7-5-13)15-10-18-16(21-15)8-9-17(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
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 8.00E+3n/an/an/an/a



Swiss Federal Institute of Technology (ETH)

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay


J Med Chem 61: 5442-5447 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00494
BindingDB Entry DOI: 10.7270/Q2J38W5N
More data for this
Ligand-Target Pair