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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor gamma' and Ligand = 'BDBM50120066'   
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 gamma


(Homo sapiens (Human))
BDBM50120066
PNG
(2-Fluoro-4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H24FNO3/c1-21(2)9-10-22(3,4)17-11-13(5-8-16(17)21)19(25)24-14-6-7-15(20(26)27)18(23)12-14/h5-8,11-12H,9-10H2,1-4H3,(H,24,25)(H,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 990n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 12: 3145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7H0H
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50120066
PNG
(2-Fluoro-4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydr...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C22H24FNO3/c1-21(2)9-10-22(3,4)17-11-13(5-8-16(17)21)19(25)24-14-6-7-15(20(26)27)18(23)12-14/h5-8,11-12H,9-10H2,1-4H3,(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 350n/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor RAR beta


Bioorg Med Chem Lett 12: 3145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7H0H
More data for this
Ligand-Target Pair