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BDBM50163881 CHEMBL3798963

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(C)nc(nc12)C#Cc1cnccn1)C(=O)NC

InChI Key: InChIKey=WWBHAOZZYRETNS-OFXRGJROSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50163881   
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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163881
PNG
(CHEMBL3798963)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1cnccn1
Show InChI InChI=1S/C20H19N7O3/c1-10-14-18(26-13(25-10)4-3-11-8-22-5-6-23-11)27(9-24-14)15-12-7-20(12,19(30)21-2)17(29)16(15)28/h5-6,8-9,12,15-17,28-29H,7H2,1-2H3,(H,21,30)/t12-,15-,16+,17+,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
343n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair