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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-gamma' and Ligand = 'BDBM24555'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM24555
PNG
(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.60E+3n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM24555
PNG
(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 5.60E+3n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair