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BDBM50163873 CHEMBL3800558

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(\C=C(/O)c3ccc(cc3)C(C)(C)C)nc(nc12)C#Cc1ccc(cc1)C(C)(C)C)C(=O)NC

InChI Key: InChIKey=AFESJHCGZYXQFV-KROJIVAZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50163873   
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))		BDBM50163873
PNG
(CHEMBL3800558)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(\C=C(/O)c3ccc(cc3)C(C)(C)C)nc(nc12)C#Cc1ccc(cc1)C(C)(C)C)C(=O)NC |r|
Show InChI InChI=1S/C37H41N5O4/c1-35(2,3)23-13-8-21(9-14-23)10-17-28-40-26(18-27(43)22-11-15-24(16-12-22)36(4,5)6)29-33(41-28)42(20-39-29)30-25-19-37(25,34(46)38-7)32(45)31(30)44/h8-9,11-16,18,20,25,30-32,43-45H,19H2,1-7H3,(H,38,46)/b27-18-/t25-,30-,31+,32+,37+/m1/s1
UniProtKB/SwissProt

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PubMed
 94n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation p...

J Med Chem 59: 3249-63 (2016)


BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair