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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048289'   
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))
BDBM50048289
PNG
(6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propyl)-pheny...)
Show SMILES OCC(O)Cc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:14:15:19:12.13.18,THB:14:13:19:20.15.16,16:15:12:19.17.18,16:17:12:20.15.14|
Show InChI InChI=1S/C30H32O4/c31-17-27(32)12-25-5-3-24(22-1-2-23-11-26(29(33)34)6-4-21(23)10-22)13-28(25)30-14-18-7-19(15-30)9-20(8-18)16-30/h1-6,10-11,13,18-20,27,31-32H,7-9,12,14-17H2,(H,33,34)
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34n/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))
BDBM50048289
PNG
(6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propyl)-pheny...)
Show SMILES OCC(O)Cc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:14:15:19:12.13.18,THB:14:13:19:20.15.16,16:15:12:19.17.18,16:17:12:20.15.14|
Show InChI InChI=1S/C30H32O4/c31-17-27(32)12-25-5-3-24(22-1-2-23-11-26(29(33)34)6-4-21(23)10-22)13-28(25)30-14-18-7-19(15-30)9-20(8-18)16-30/h1-6,10-11,13,18-20,27,31-32H,7-9,12,14-17H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
158n/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