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BDBM50413334 CHEMBL505263

SMILES: CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=FAYLESWWEBZCNO-WPVHZEOBNA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50413334   
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 member X1


(Homo sapiens (Human))
BDBM50413334
PNG
(CHEMBL505263)
Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C35H39F3N6O2/c1-3-22(2)31-34(46)42-28-12-11-26(39-14-17-43-15-5-4-6-16-43)20-27(28)32-41-29-19-24(10-13-30(29)44(31)32)33(45)40-21-23-8-7-9-25(18-23)35(36,37)38/h7-13,18-20,22,31,39H,3-6,14-17,21H2,1-2H3,(H,40,45)(H,42,46)/t22-,31-/s2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T
More data for this
Ligand-Target Pair
Mas-related G protein-coupled receptor X2 (MRGPRX2)


(Homo sapiens (Human))
BDBM50413334
PNG
(CHEMBL505263)
Show SMILES CC[C@@H](C)[C@@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(ccc3n12)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C35H39F3N6O2/c1-3-22(2)31-34(46)42-28-12-11-26(39-14-17-43-15-5-4-6-16-43)20-27(28)32-41-29-19-24(10-13-30(29)44(31)32)33(45)40-21-23-8-7-9-25(18-23)35(36,37)38/h7-13,18-20,22,31,39H,3-6,14-17,21H2,1-2H3,(H,40,45)(H,42,46)/t22-,31-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX2 receptor


Bioorg Med Chem Lett 19: 1729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.085
BindingDB Entry DOI: 10.7270/Q29S1S8T
More data for this
Ligand-Target Pair