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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mas-related G-protein coupled receptor member X2' and Ligand = 'BDBM224031'   
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
Mas-related G-protein coupled receptor member X2


(Homo sapiens (Human))
BDBM224031
PNG
(Sinomenine)
Show SMILES [H][C@]12Cc3ccc(OC)c(O)c3[C@@]3(CCN1C)CC(=O)C(OC)=C[C@]23[H] |c:24,TLB:16:15:24:11.2.3|
Show InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/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
Mas-related G-protein coupled receptor member X2


(Homo sapiens (Human))
BDBM224031
PNG
(Sinomenine)
Show SMILES [H][C@]12Cc3ccc(OC)c(O)c3[C@@]3(CCN1C)CC(=O)C(OC)=C[C@]23[H] |c:24,TLB:16:15:24:11.2.3|
Show InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.00E+3n/an/a7.430



University of North Carolina



Assay Description
MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza...


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