BindingDB logo
myBDB logout

BDBM50506035 CHEMBL4437702

SMILES: CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cccc(C)c2[nH]1)c1ccccc1

InChI Key: InChIKey=PORPUYRVLVCPCB-HHHXNRCGSA-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 = 50506035   
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
Apelin receptor


(Homo sapiens (Human))
BDBM50506035
PNG
(CHEMBL4437702)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cccc(C)c2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C32H28ClN3O3/c1-3-8-27(20-10-5-4-6-11-20)35-31(37)21-13-15-23(26(17-21)32(38)39)25-18-22(33)14-16-24(25)30-34-28-12-7-9-19(2)29(28)36-30/h4-7,9-18,27H,3,8H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)/t27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 51n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...


J Med Chem 62: 10456-10465 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01513
More data for this
Ligand-Target Pair