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SMILES: COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnc[nH]1

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 = 50571406   
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))
BDBM50571406
PNG
(CHEMBL4876051)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnc[nH]1 |r,wU:23.26,(2.18,-9.73,;3.32,-10.76,;3,-12.27,;1.54,-12.74,;1.22,-14.25,;2.38,-15.28,;3.84,-14.8,;4.99,-15.82,;4.67,-17.33,;4.15,-13.3,;5.61,-12.82,;6.08,-11.35,;7.62,-11.35,;8.1,-12.82,;6.85,-13.72,;6.86,-15.26,;5.62,-16.17,;6.09,-17.63,;7.63,-17.63,;8.11,-16.17,;8.52,-10.11,;7.89,-8.7,;10.05,-10.26,;10.96,-9.02,;10.33,-7.61,;11.23,-6.36,;10.6,-4.96,;11.52,-3.71,;10.89,-2.31,;9.36,-2.14,;8.45,-3.39,;9.08,-4.8,;12.49,-9.18,;13.39,-7.93,;12.89,-6.48,;14.13,-5.57,;15.38,-6.46,;14.91,-7.93,)|
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 523n/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))
BDBM50571406
PNG
(CHEMBL4876051)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnc[nH]1 |r,wU:23.26,(2.18,-9.73,;3.32,-10.76,;3,-12.27,;1.54,-12.74,;1.22,-14.25,;2.38,-15.28,;3.84,-14.8,;4.99,-15.82,;4.67,-17.33,;4.15,-13.3,;5.61,-12.82,;6.08,-11.35,;7.62,-11.35,;8.1,-12.82,;6.85,-13.72,;6.86,-15.26,;5.62,-16.17,;6.09,-17.63,;7.63,-17.63,;8.11,-16.17,;8.52,-10.11,;7.89,-8.7,;10.05,-10.26,;10.96,-9.02,;10.33,-7.61,;11.23,-6.36,;10.6,-4.96,;11.52,-3.71,;10.89,-2.31,;9.36,-2.14,;8.45,-3.39,;9.08,-4.8,;12.49,-9.18,;13.39,-7.93,;12.89,-6.48,;14.13,-5.57,;15.38,-6.46,;14.91,-7.93,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 134n/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