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SMILES: Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)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 = 50571378   
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))
BDBM50571378
PNG
(CHEMBL4852570)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(O)=O |r,wU:24.26,(57.58,-16.5,;46.68,-13.06,;47.83,-14.09,;47.51,-15.59,;46.05,-16.07,;45.73,-17.58,;46.88,-18.61,;48.34,-18.13,;49.49,-19.15,;49.18,-20.66,;48.65,-16.63,;50.11,-16.15,;50.58,-14.68,;52.12,-14.68,;52.6,-16.15,;51.36,-17.05,;51.36,-18.59,;50.12,-19.5,;50.59,-20.96,;52.13,-20.96,;52.61,-19.5,;53.03,-13.43,;52.4,-12.03,;54.56,-13.59,;55.46,-12.35,;54.83,-10.94,;55.74,-9.69,;55.11,-8.29,;56.02,-7.04,;55.4,-5.64,;53.87,-5.47,;52.96,-6.72,;53.58,-8.13,;56.99,-12.5,;57.9,-11.26,;59.43,-11.42,;57.27,-9.85,)|
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.57E+3n/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))
BDBM50571378
PNG
(CHEMBL4852570)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(O)=O |r,wU:24.26,(57.58,-16.5,;46.68,-13.06,;47.83,-14.09,;47.51,-15.59,;46.05,-16.07,;45.73,-17.58,;46.88,-18.61,;48.34,-18.13,;49.49,-19.15,;49.18,-20.66,;48.65,-16.63,;50.11,-16.15,;50.58,-14.68,;52.12,-14.68,;52.6,-16.15,;51.36,-17.05,;51.36,-18.59,;50.12,-19.5,;50.59,-20.96,;52.13,-20.96,;52.61,-19.5,;53.03,-13.43,;52.4,-12.03,;54.56,-13.59,;55.46,-12.35,;54.83,-10.94,;55.74,-9.69,;55.11,-8.29,;56.02,-7.04,;55.4,-5.64,;53.87,-5.47,;52.96,-6.72,;53.58,-8.13,;56.99,-12.5,;57.9,-11.26,;59.43,-11.42,;57.27,-9.85,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.11E+3n/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