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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048297'   
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))
BDBM50048297
PNG
(6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propoxy)-phen...)
Show SMILES OCC(O)COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:15:16:20:13.14.19,THB:15:14:20:21.16.17,17:16:13:20.18.19,17:18:13:21.16.15|
Show InChI InChI=1S/C30H32O5/c31-16-26(32)17-35-28-6-5-24(22-1-2-23-11-25(29(33)34)4-3-21(23)10-22)12-27(28)30-13-18-7-19(14-30)9-20(8-18)15-30/h1-6,10-12,18-20,26,31-32H,7-9,13-17H2,(H,33,34)
PDB
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89n/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))
BDBM50048297
PNG
(6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propoxy)-phen...)
Show SMILES OCC(O)COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:15:16:20:13.14.19,THB:15:14:20:21.16.17,17:16:13:20.18.19,17:18:13:21.16.15|
Show InChI InChI=1S/C30H32O5/c31-16-26(32)17-35-28-6-5-24(22-1-2-23-11-25(29(33)34)4-3-21(23)10-22)12-27(28)30-13-18-7-19(14-30)9-20(8-18)15-30/h1-6,10-12,18-20,26,31-32H,7-9,13-17H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
151n/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