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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048283'   
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))
BDBM50048283
PNG
(6-(3-Adamantan-1-yl-4-hydroxymethyl-phenyl)-naphth...)
Show SMILES OCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:11:12:16:9.10.15,15:14:17:9.10.11,15:10:17:16.14.13,THB:11:10:16:17.12.13|
Show InChI InChI=1S/C28H28O3/c29-16-25-6-4-23(21-1-2-22-11-24(27(30)31)5-3-20(22)10-21)12-26(25)28-13-17-7-18(14-28)9-19(8-17)15-28/h1-6,10-12,17-19,29H,7-9,13-16H2,(H,30,31)
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156n/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))
BDBM50048283
PNG
(6-(3-Adamantan-1-yl-4-hydroxymethyl-phenyl)-naphth...)
Show SMILES OCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:11:12:16:9.10.15,15:14:17:9.10.11,15:10:17:16.14.13,THB:11:10:16:17.12.13|
Show InChI InChI=1S/C28H28O3/c29-16-25-6-4-23(21-1-2-22-11-24(27(30)31)5-3-20(22)10-21)12-26(25)28-13-17-7-18(14-28)9-19(8-17)15-28/h1-6,10-12,17-19,29H,7-9,13-16H2,(H,30,31)
PDB
MMDB

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KEGG

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

Patents

PubMed
386n/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