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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50061619'   
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))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
790n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061619
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5H-13...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C29H29NO2/c1-28(2)13-14-29(3,4)24-17-22-21(16-23(24)28)15-20-7-5-6-8-25(20)30-26(22)18-9-11-19(12-10-18)27(31)32/h5-12,16-17H,13-15H2,1-4H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
810n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
More data for this
Ligand-Target Pair