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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048298'   
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
Retinoid receptor


(Homo sapiens (Human))
BDBM50048298
PNG
(6-(4,4-Dimethyl-chroman-6-yl)-naphthalene-2-carbox...)
Show SMILES CC1(C)CCOc2ccc(cc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C22H20O3/c1-22(2)9-10-25-20-8-7-17(13-19(20)22)15-3-4-16-12-18(21(23)24)6-5-14(16)11-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
210n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048298
PNG
(6-(4,4-Dimethyl-chroman-6-yl)-naphthalene-2-carbox...)
Show SMILES CC1(C)CCOc2ccc(cc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C22H20O3/c1-22(2)9-10-25-20-8-7-17(13-19(20)22)15-3-4-16-12-18(21(23)24)6-5-14(16)11-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
860n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)

More data for this
Ligand-Target Pair