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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50245154   
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
DCN1-like protein 1


(Homo sapiens)
BDBM50245154
PNG
(CHEMBL4067795 | US11116757, No. A10)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N3O/c1-3-9-22(2)30-18-16-27(17-19-30)31(21-23-10-5-4-6-11-23)28(32)29-26-15-14-24-12-7-8-13-25(24)20-26/h4-8,10-15,20,22,27H,3,9,16-19,21H2,1-2H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245154
PNG
(CHEMBL4067795 | US11116757, No. A10)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N3O/c1-3-9-22(2)30-18-16-27(17-19-30)31(21-23-10-5-4-6-11-23)28(32)29-26-15-14-24-12-7-8-13-25(24)20-26/h4-8,10-15,20,22,27H,3,9,16-19,21H2,1-2H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 78.9n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair