BindingDB logo
myBDB logout

null

SMILES: CCc1cncc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=JZKHWHWVLNGDPV-HNNXBMFYSA-N

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 = 360119   
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))
BDBM360119
PNG
((2S)-N-(4-(2,6-dimethoxyphenyl)-5-(5-ethyl-3-pyrid...)
Show SMILES CCc1cncc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-9.66,6.43,;-8.12,6.43,;-7.35,5.1,;-8.12,3.77,;-7.35,2.43,;-5.81,2.43,;-5.04,3.77,;-5.81,5.1,;-3.5,3.77,;-3.02,2.3,;-1.48,2.3,;-1.01,3.77,;.32,4.54,;1.66,3.77,;.32,3,;2.99,3,;2.99,4.54,;2.99,6.08,;4.33,3.77,;5.66,4.54,;6.99,3.77,;8.33,4.54,;8.33,6.08,;9.66,6.85,;6.99,6.85,;5.66,6.08,;-2.25,4.67,;-2.25,6.21,;-3.59,6.98,;-4.92,6.21,;-6.26,6.98,;-3.59,8.52,;-2.25,9.29,;-.92,8.52,;-.92,6.98,;.41,6.21,;1.75,6.98,)|
Show InChI InChI=1S/C24H26FN7O4S/c1-5-16-10-17(12-26-11-16)23-29-30-24(32(23)22-19(35-3)7-6-8-20(22)36-4)31-37(33,34)15(2)9-21-27-13-18(25)14-28-21/h6-8,10-15H,5,9H2,1-4H3,(H,30,31)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.30n/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si...


US Patent US10221162 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JXS
More data for this
Ligand-Target Pair