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BDBM50048296 4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthracen-2-yl)-benzoic acid::CHEMBL36768

SMILES: CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=KBUHKLGVLUHYJL-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048296   
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)
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
PDB
MMDB

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PubMed
2n/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)
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
PDB
MMDB

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PubMed
3n/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)
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
5.30n/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