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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic Acid Receptor, gamma' and Ligand = 'BDBM31887'   
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))
BDBM31887
PNG
(BMS181156 | Ch 80)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)\C=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15H,13-14H2,1-4H3,(H,26,27)/b12-7+
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KEGG

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PC sid
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DrugBank
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PDB
Article
PubMed
n/an/an/a 0.600n/an/an/a7.94



CNRS



Assay Description
Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...


J Mol Biol 302: 155-70 (2000)


Article DOI: 10.1006/jmbi.2000.4032
BindingDB Entry DOI: 10.7270/Q2BR8QHR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)