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SMILES: Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC1)CC(O)=O

InChI Key:

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 2 hits for monomerid = 50571377   
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))
BDBM50571377
PNG
(CHEMBL4847403)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC1)CC(O)=O |r,wU:24.26,(42.95,-13.48,;33.36,-11.74,;34.51,-12.77,;34.19,-14.27,;32.72,-14.75,;32.4,-16.26,;33.56,-17.29,;35.02,-16.81,;36.17,-17.83,;35.85,-19.34,;35.33,-15.3,;36.79,-14.83,;37.26,-13.36,;38.8,-13.36,;39.28,-14.82,;38.03,-15.73,;38.04,-17.27,;36.8,-18.18,;37.27,-19.64,;38.81,-19.64,;39.29,-18.18,;39.7,-12.11,;39.07,-10.71,;41.24,-12.27,;42.14,-11.02,;41.51,-9.62,;42.41,-8.37,;41.78,-6.96,;42.56,-5.63,;41.52,-4.49,;40.12,-5.12,;40.28,-6.65,;43.67,-11.18,;44.57,-9.93,;46.11,-10.09,;43.94,-8.53,)|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at human AGTRL1 expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50571377
PNG
(CHEMBL4847403)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC1)CC(O)=O |r,wU:24.26,(42.95,-13.48,;33.36,-11.74,;34.51,-12.77,;34.19,-14.27,;32.72,-14.75,;32.4,-16.26,;33.56,-17.29,;35.02,-16.81,;36.17,-17.83,;35.85,-19.34,;35.33,-15.3,;36.79,-14.83,;37.26,-13.36,;38.8,-13.36,;39.28,-14.82,;38.03,-15.73,;38.04,-17.27,;36.8,-18.18,;37.27,-19.64,;38.81,-19.64,;39.29,-18.18,;39.7,-12.11,;39.07,-10.71,;41.24,-12.27,;42.14,-11.02,;41.51,-9.62,;42.41,-8.37,;41.78,-6.96,;42.56,-5.63,;41.52,-4.49,;40.12,-5.12,;40.28,-6.65,;43.67,-11.18,;44.57,-9.93,;46.11,-10.09,;43.94,-8.53,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 398n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 40 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN
More data for this
Ligand-Target Pair