BindingDB logo
myBDB logout

BDBM50412994 CHEMBL517029

SMILES: Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(CC1)c1ccc(cc1)C#N

InChI Key: InChIKey=YZFZSTLDYUGIKG-UHFFFAOYSA-N

Data: 1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412994   
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))		BDBM50412994
PNG
(CHEMBL517029)
Show SMILES Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H32ClN7O2/c1-20-23(19-37-29(39)27(30)26(18-33-37)36-15-11-32-12-16-36)3-2-4-25(20)34-28(38)22-9-13-35(14-10-22)24-7-5-21(17-31)6-8-24/h2-8,18,22,32H,9-16,19H2,1H3,(H,34,38)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.69E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay

J Med Chem 52: 818-25 (2009)


Article DOI: 10.1021/jm800962k
BindingDB Entry DOI: 10.7270/Q2R212MD
More data for this
Ligand-Target Pair