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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas' and Ligand = 'BDBM50468898'   
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
Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas


(Homo sapiens)		BDBM50468898
PNG
(CHEMBL4278309)
Show SMILES CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O |r|
Show InChI InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of Gs coupled adrenergic beta2 receptor in HEK293 cells assessed as reduction in isoproterenol-induced cAMP production pretreated for 1 hr...

Eur J Med Chem 156: 847-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.023
BindingDB Entry DOI: 10.7270/Q2BP05GZ
More data for this
Ligand-Target Pair