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BDBM224027 KNT-127

SMILES: Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1

InChI Key: InChIKey=XTQJMKKUNXFEFW-JCYYIGJDSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 224027   
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
Mas-related G protein-coupled receptor X2 (MRGPRX2)


(Homo sapiens (Human))		BDBM224027
PNG
(KNT-127)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+4n/an/a7.430



University of North Carolina



Assay Description
HTLA cells (HEK-T cells stably expressing a β-arrestin2-TEV fusion protein and a tTa-dependent luciferase reporter) were maintained in DMEM (Cor...

Nat Chem Biol 13: 529-536 (2017)


Article DOI: 10.1038/nchembio.2334
BindingDB Entry DOI: 10.7270/Q20R9N82
More data for this
Ligand-Target Pair