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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048282'   
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))
BDBM50048282
PNG
(6-[3-Adamantan-1-yl-4-(1,2-dihydroxy-ethyl)-phenyl...)
Show SMILES OCC(O)c1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:13:14:18:11.12.17,17:12:19:18.16.15,17:16:19:11.12.13,THB:13:12:18:19.14.15|
Show InChI InChI=1S/C29H30O4/c30-16-27(31)25-6-5-23(21-1-2-22-11-24(28(32)33)4-3-20(22)10-21)12-26(25)29-13-17-7-18(14-29)9-19(8-17)15-29/h1-6,10-12,17-19,27,30-31H,7-9,13-16H2,(H,32,33)
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153n/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))
BDBM50048282
PNG
(6-[3-Adamantan-1-yl-4-(1,2-dihydroxy-ethyl)-phenyl...)
Show SMILES OCC(O)c1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:13:14:18:11.12.17,17:12:19:18.16.15,17:16:19:11.12.13,THB:13:12:18:19.14.15|
Show InChI InChI=1S/C29H30O4/c30-16-27(31)25-6-5-23(21-1-2-22-11-24(28(32)33)4-3-20(22)10-21)12-26(25)29-13-17-7-18(14-29)9-19(8-17)15-29/h1-6,10-12,17-19,27,30-31H,7-9,13-16H2,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
288n/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