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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048278'   
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))
BDBM50048278
PNG
(4-[(E)-2-(3-Adamantan-1-yl-4-hydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc(\C=C\c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:20:17:24.22.23,21:22:17:25.20.19|
Show InChI InChI=1S/C25H26O3/c26-23-8-5-17(2-1-16-3-6-21(7-4-16)24(27)28)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h1-8,12,18-20,26H,9-11,13-15H2,(H,27,28)/b2-1+
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PC cid
PC sid
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20n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50048278
PNG
(4-[(E)-2-(3-Adamantan-1-yl-4-hydroxy-phenyl)-vinyl...)
Show SMILES OC(=O)c1ccc(\C=C\c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:20:17:24.22.23,21:22:17:25.20.19|
Show InChI InChI=1S/C25H26O3/c26-23-8-5-17(2-1-16-3-6-21(7-4-16)24(27)28)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h1-8,12,18-20,26H,9-11,13-15H2,(H,27,28)/b2-1+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
70n/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