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BDBM50048289 6-[3-Adamantan-1-yl-4-(2,3-dihydroxy-propyl)-phenyl]-naphthalene-2-carboxylic acid::CHEMBL146636

SMILES: OCC(O)Cc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O

InChI Key: InChIKey=XOGICLJNEFNTER-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048289   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens)
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
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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
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
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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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


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
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
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

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


Citation and Details
More data for this
Ligand-Target Pair