Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50015661 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Apelin receptor
(Homo sapiens (Human)) | BDBM50588316
(CHEMBL5170657)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(Cl)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(52.86,-13.07,;51.52,-12.3,;50.19,-13.08,;50.2,-14.63,;48.85,-15.4,;47.52,-14.63,;47.52,-13.08,;46.19,-12.31,;44.85,-13.08,;48.85,-12.31,;48.78,-9.76,;50.12,-9,;51.45,-9.76,;50.11,-7.46,;51.44,-6.68,;51.44,-5.14,;52.78,-7.45,;52.94,-8.98,;54.45,-9.29,;55.22,-7.96,;54.18,-6.81,;56.75,-7.79,;57.36,-6.38,;58.88,-6.21,;59.8,-7.46,;61.34,-7.3,;59.18,-8.87,;57.65,-9.04,;57.03,-10.45,;48.77,-6.69,;48.76,-5.15,;47.44,-7.47,;47.45,-9.01,;46.12,-9.79,;44.71,-9.16,;43.69,-10.32,;44.47,-11.65,;43.86,-13.06,;45.98,-11.32,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50577748
(CHEMBL4870497)Show SMILES CCOCc1nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)n1-c1c(OC)cccc1OC |r,wU:14.16,(46,-48.12,;47.33,-48.89,;48.66,-48.11,;50,-48.88,;51.35,-48.11,;51.35,-46.58,;52.67,-45.81,;52.67,-44.25,;54,-46.58,;55.34,-45.8,;55.34,-44.26,;56.67,-46.57,;56.83,-48.09,;58.34,-48.41,;59.11,-47.08,;58.08,-45.93,;60.64,-46.92,;61.54,-48.17,;63.07,-48.01,;63.7,-46.6,;62.78,-45.35,;61.25,-45.52,;54,-48.1,;55.34,-48.87,;52.68,-48.86,;52.68,-50.4,;54.01,-51.16,;55.34,-50.39,;56.68,-51.15,;54.02,-52.71,;52.68,-53.49,;51.34,-52.71,;51.35,-51.17,;50.01,-50.4,;48.68,-51.17,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588317
(CHEMBL5185709)Show SMILES COc1cccc(OC)c1-n1c(COC2CC2)nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c1O |r,wU:26.30,(81.03,-31.85,;79.69,-31.08,;78.36,-31.86,;78.37,-33.41,;77.03,-34.18,;75.7,-33.41,;75.7,-31.86,;74.36,-31.1,;73.03,-31.87,;77.03,-31.09,;77.02,-29.55,;75.68,-28.8,;74.36,-29.58,;73.02,-28.82,;71.69,-29.6,;70.15,-29.62,;70.93,-30.95,;75.67,-27.26,;77.01,-26.48,;77,-24.94,;78.35,-27.25,;79.67,-26.47,;79.67,-24.93,;81.01,-27.24,;81.19,-28.76,;82.69,-29.07,;83.46,-27.73,;82.42,-26.59,;84.99,-27.57,;85.89,-28.81,;87.42,-28.64,;88.04,-27.23,;87.12,-25.99,;85.6,-26.16,;78.35,-28.79,;79.69,-29.56,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588318
(CHEMBL5206677)Show SMILES COc1cccc(OC)c1-n1c(COC2CCC2)nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c1O |r,wU:27.31,(12.48,-49.41,;11.15,-48.65,;9.82,-49.42,;9.82,-50.97,;8.48,-51.74,;7.15,-50.97,;7.15,-49.43,;5.82,-48.66,;4.49,-49.43,;8.48,-48.66,;8.48,-47.12,;7.14,-46.36,;5.81,-47.14,;4.47,-46.38,;3.15,-47.16,;1.66,-46.78,;1.28,-48.27,;2.77,-48.66,;7.13,-44.83,;8.47,-44.04,;8.46,-42.5,;9.8,-44.81,;11.13,-44.04,;11.12,-42.5,;12.47,-44.8,;12.64,-46.32,;14.15,-46.63,;14.91,-45.3,;13.88,-44.16,;16.44,-45.13,;17.35,-46.37,;18.88,-46.21,;19.5,-44.8,;18.58,-43.55,;17.05,-43.72,;9.81,-46.35,;11.14,-47.12,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588319
(CHEMBL5190259)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(=O)nc1CCCC(F)(F)F |r,wU:19.22,(33.2,-48.85,;31.86,-48.09,;30.53,-48.86,;30.53,-50.41,;29.2,-51.18,;27.86,-50.41,;27.86,-48.87,;26.53,-48.1,;25.2,-48.87,;29.19,-48.1,;29.19,-46.56,;30.52,-45.79,;31.85,-46.56,;30.51,-44.25,;31.84,-43.48,;31.83,-41.94,;33.18,-44.24,;33.35,-45.76,;34.86,-46.07,;35.63,-44.74,;34.59,-43.6,;37.16,-44.57,;38.06,-45.81,;39.59,-45.65,;40.21,-44.24,;39.29,-42.99,;37.77,-43.16,;29.18,-43.48,;29.17,-41.94,;27.84,-44.27,;27.85,-45.8,;26.52,-46.58,;25.18,-45.82,;23.86,-46.6,;22.52,-45.84,;21.19,-46.63,;22.5,-44.3,;21.18,-45.07,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588320
(CHEMBL5197115)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(=O)nc1C1CCCC1 |r,wU:19.22,(53.52,-49.65,;52.18,-48.89,;50.85,-49.66,;50.86,-51.21,;49.52,-51.98,;48.19,-51.21,;48.19,-49.67,;46.85,-48.9,;45.52,-49.67,;49.52,-48.9,;49.54,-46.32,;50.86,-45.55,;52.2,-46.32,;50.86,-44.01,;52.19,-43.23,;52.18,-41.69,;53.53,-44,;53.7,-45.52,;55.21,-45.83,;55.97,-44.5,;54.94,-43.36,;57.5,-44.33,;58.41,-45.57,;59.94,-45.41,;60.56,-43.99,;59.64,-42.75,;58.11,-42.92,;49.52,-43.24,;49.52,-41.7,;48.19,-44.02,;48.2,-45.56,;46.87,-46.34,;45.46,-45.73,;44.44,-46.88,;45.22,-48.21,;46.72,-47.88,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588321
(CHEMBL5179504)Show SMILES CCOCc1nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(O)n1-c1c(OC)cccc1OC |r,wU:14.16,(62.67,-45.68,;64.01,-46.44,;65.33,-45.66,;66.67,-46.42,;68,-45.64,;67.99,-44.1,;69.32,-43.32,;69.32,-41.78,;70.66,-44.09,;71.99,-43.31,;71.98,-41.77,;73.33,-44.08,;73.5,-45.6,;75.01,-45.91,;75.77,-44.57,;74.74,-43.43,;77.3,-44.4,;77.91,-43,;79.44,-42.83,;80.36,-44.07,;79.74,-45.48,;78.21,-45.65,;77.59,-47.06,;70.67,-45.63,;72,-46.39,;69.34,-46.39,;69.34,-47.93,;70.68,-48.7,;72.01,-47.92,;73.34,-48.69,;70.68,-50.25,;69.34,-51.02,;68.01,-50.25,;68.01,-48.7,;66.68,-47.93,;65.35,-48.7,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588322
(CHEMBL5205562)Show SMILES CCOCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(O)n1-c1c(OC)cccc1OC |(.98,-6.01,;2.32,-6.77,;3.65,-5.99,;4.99,-6.74,;6.32,-5.96,;6.3,-4.43,;7.64,-3.65,;7.63,-2.11,;8.98,-4.41,;10.31,-3.64,;10.3,-2.1,;11.64,-4.4,;11.82,-5.92,;13.33,-6.24,;14.09,-4.9,;13.05,-3.76,;15.62,-4.73,;16.23,-3.33,;17.76,-3.15,;18.68,-4.4,;20.21,-4.23,;18.05,-5.81,;16.53,-5.98,;15.9,-7.38,;8.98,-5.95,;10.32,-6.72,;7.65,-6.72,;7.66,-8.26,;8.99,-9.02,;10.32,-8.25,;11.66,-9.01,;9,-10.57,;7.66,-11.34,;6.33,-10.57,;6.33,-9.03,;4.99,-8.26,;3.66,-9.03,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588323
(CHEMBL5184730)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccc(F)cc1 |r,wU:19.22,(32.93,-10.22,;31.6,-9.45,;30.26,-10.23,;30.27,-11.78,;28.93,-12.55,;27.6,-11.78,;27.6,-10.24,;26.27,-9.47,;24.93,-10.24,;28.93,-9.46,;28.95,-6.88,;30.28,-6.12,;31.61,-6.88,;30.27,-4.58,;31.6,-3.8,;31.59,-2.26,;32.94,-4.56,;33.11,-6.09,;34.62,-6.4,;35.38,-5.06,;34.35,-3.92,;36.92,-4.89,;37.52,-3.49,;39.05,-3.32,;39.97,-4.56,;39.35,-5.97,;37.82,-6.14,;37.2,-7.55,;28.94,-3.81,;28.93,-2.27,;27.6,-4.59,;27.61,-6.13,;26.28,-6.91,;24.95,-6.14,;23.62,-6.92,;23.63,-8.46,;22.31,-9.25,;24.98,-9.22,;26.3,-8.44,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588324
(CHEMBL5199079)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccc(C)nc1 |(53.57,-10.74,;52.24,-9.97,;50.91,-10.75,;50.91,-12.3,;49.57,-13.07,;48.24,-12.3,;48.24,-10.76,;46.91,-9.99,;45.58,-10.76,;49.57,-9.99,;49.59,-7.4,;50.92,-6.64,;52.25,-7.4,;50.92,-5.1,;52.24,-4.32,;52.24,-2.78,;53.58,-5.09,;53.76,-6.61,;55.26,-6.92,;56.03,-5.58,;54.99,-4.44,;57.56,-5.41,;58.17,-4.01,;59.69,-3.84,;60.61,-5.08,;62.14,-4.91,;59.99,-6.49,;58.46,-6.66,;57.84,-8.07,;49.58,-4.33,;49.57,-2.79,;48.24,-5.11,;48.25,-6.65,;46.93,-7.43,;46.94,-8.96,;45.62,-9.74,;44.27,-8.98,;42.95,-9.77,;44.26,-7.44,;45.59,-6.66,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588325
(CHEMBL5190307)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccc(C)cn1 |(77.13,-11.09,;75.79,-10.32,;74.46,-11.1,;74.47,-12.65,;73.13,-13.42,;71.8,-12.65,;71.8,-11.11,;70.46,-10.34,;69.13,-11.11,;73.13,-10.34,;73.15,-7.75,;74.48,-6.99,;75.81,-7.75,;74.47,-5.45,;75.8,-4.67,;75.79,-3.13,;77.14,-5.44,;77.31,-6.96,;78.82,-7.27,;79.58,-5.93,;78.55,-4.79,;81.11,-5.76,;81.72,-4.36,;83.25,-4.19,;84.17,-5.43,;85.7,-5.26,;83.55,-6.84,;82.02,-7.01,;81.4,-8.42,;73.13,-4.68,;73.13,-3.14,;71.8,-5.46,;71.81,-7,;70.48,-7.78,;70.5,-9.31,;69.18,-10.09,;67.83,-9.33,;66.5,-10.12,;67.82,-7.79,;69.15,-7.01,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588326
(CHEMBL5202233)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1csc(C)n1 |(11.18,-24.55,;9.84,-23.79,;8.51,-24.56,;8.52,-26.11,;7.18,-26.88,;5.84,-26.11,;5.85,-24.57,;4.51,-23.8,;3.18,-24.57,;7.17,-23.8,;7.19,-21.22,;8.52,-20.45,;9.86,-21.22,;8.52,-18.91,;9.85,-18.14,;9.84,-16.6,;11.18,-18.9,;11.36,-20.42,;12.87,-20.73,;13.63,-19.4,;12.59,-18.26,;15.16,-19.23,;15.77,-17.82,;17.3,-17.65,;18.22,-18.9,;19.75,-18.72,;17.6,-20.31,;16.07,-20.47,;15.44,-21.88,;7.18,-18.14,;7.18,-16.6,;5.85,-18.93,;5.86,-20.46,;4.53,-21.24,;4.37,-22.77,;2.87,-23.11,;2.09,-21.78,;.56,-21.63,;3.11,-20.63,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588327
(CHEMBL5192130)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1cnn(C)c1 |(31.71,-25.37,;30.37,-24.6,;29.04,-25.38,;29.05,-26.93,;27.71,-27.7,;26.38,-26.93,;26.38,-25.39,;25.05,-24.62,;23.71,-25.39,;27.71,-24.62,;27.73,-22.03,;29.06,-21.27,;30.39,-22.03,;29.05,-19.73,;30.38,-18.95,;30.37,-17.41,;31.72,-19.72,;31.89,-21.24,;33.4,-21.55,;34.16,-20.21,;33.13,-19.07,;35.69,-20.04,;36.3,-18.64,;37.83,-18.47,;38.75,-19.71,;40.28,-19.54,;38.13,-21.12,;36.6,-21.29,;35.98,-22.7,;27.71,-18.96,;27.71,-17.42,;26.38,-19.74,;26.39,-21.28,;25.06,-22.06,;24.91,-23.59,;23.4,-23.92,;22.62,-22.6,;21.09,-22.45,;23.64,-21.44,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588328
(CHEMBL5208127)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |(52.2,-24.92,;50.86,-24.15,;49.53,-24.93,;49.53,-26.48,;48.2,-27.25,;46.86,-26.48,;46.86,-24.93,;45.53,-24.16,;44.2,-24.94,;48.19,-24.16,;48.21,-21.58,;49.54,-20.81,;50.88,-21.58,;49.54,-19.28,;50.86,-18.5,;50.86,-16.96,;52.2,-19.26,;52.38,-20.79,;53.89,-21.1,;54.65,-19.76,;53.61,-18.62,;56.18,-19.59,;56.79,-18.19,;58.32,-18.02,;59.24,-19.26,;60.77,-19.09,;58.61,-20.67,;57.09,-20.84,;56.46,-22.25,;48.2,-18.51,;48.19,-16.97,;46.86,-19.29,;46.88,-20.83,;45.55,-21.61,;45.39,-23.14,;43.89,-23.47,;43.11,-22.14,;41.58,-22,;44.13,-20.99,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588329
(CHEMBL5173464)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(75.12,-26.02,;73.78,-25.25,;72.45,-26.03,;72.46,-27.58,;71.12,-28.35,;69.78,-27.58,;69.79,-26.03,;68.45,-25.26,;67.12,-26.03,;71.12,-25.26,;71.13,-22.68,;72.46,-21.91,;73.8,-22.68,;72.46,-20.37,;73.79,-19.6,;73.78,-18.06,;75.12,-20.36,;75.3,-21.88,;76.81,-22.2,;77.57,-20.86,;76.54,-19.72,;79.1,-20.69,;79.71,-19.29,;81.24,-19.11,;82.16,-20.36,;81.54,-21.77,;80.01,-21.94,;79.38,-23.34,;71.12,-19.61,;71.12,-18.07,;69.79,-20.39,;69.8,-21.92,;68.47,-22.7,;68.32,-24.24,;66.81,-24.57,;66.03,-23.24,;64.5,-23.09,;67.05,-22.09,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588330
(CHEMBL5197398)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(13.35,-41.59,;12.01,-40.83,;10.68,-41.6,;10.69,-43.15,;9.35,-43.93,;8.01,-43.15,;8.02,-41.61,;6.68,-40.84,;5.35,-41.61,;9.34,-40.84,;9.36,-38.26,;10.69,-37.49,;12.03,-38.26,;10.69,-35.95,;12.02,-35.18,;12.01,-33.64,;13.35,-35.94,;13.53,-37.46,;15.04,-37.77,;15.8,-36.44,;14.76,-35.3,;17.33,-36.27,;17.94,-34.87,;19.47,-34.69,;20.39,-35.94,;19.77,-37.35,;18.24,-37.52,;17.61,-38.92,;9.35,-35.18,;9.35,-33.64,;8.02,-35.97,;8.03,-37.5,;6.7,-38.28,;6.54,-39.82,;5.04,-40.15,;4.26,-38.82,;2.73,-38.67,;5.28,-37.67,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588331
(CHEMBL5193130)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CCC(C2)c2c(F)cccc2F)c(=O)nc1-c1ccn(C)n1 |(35.11,-41.13,;33.77,-40.37,;32.44,-41.14,;32.45,-42.7,;31.11,-43.47,;29.78,-42.7,;29.78,-41.15,;28.44,-40.38,;27.11,-41.15,;31.11,-40.38,;31.13,-37.8,;32.45,-37.03,;33.79,-37.8,;32.45,-35.49,;33.78,-34.72,;33.77,-33.18,;35.12,-35.48,;35.29,-37,;36.8,-37.32,;37.56,-35.98,;36.53,-34.84,;39.09,-35.81,;40,-37.06,;39.38,-38.46,;41.53,-36.89,;42.15,-35.48,;41.23,-34.23,;39.7,-34.41,;38.79,-33.17,;31.11,-34.73,;31.11,-33.19,;29.78,-35.51,;29.79,-37.04,;28.46,-37.82,;28.31,-39.36,;26.8,-39.69,;26.02,-38.36,;24.49,-38.21,;27.04,-37.21,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588332
(CHEMBL5175424)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ncccc2F)c(=O)nc1-c1ccn(C)n1 |(57.1,-39.85,;55.76,-39.09,;54.43,-39.86,;54.44,-41.41,;53.1,-42.18,;51.76,-41.41,;51.77,-39.87,;50.43,-39.1,;49.1,-39.87,;53.09,-39.1,;53.11,-36.52,;54.44,-35.75,;55.78,-36.52,;54.44,-34.21,;55.77,-33.43,;55.76,-31.89,;57.1,-34.2,;57.28,-35.72,;58.79,-36.03,;59.55,-34.7,;58.51,-33.56,;61.08,-34.53,;61.99,-35.77,;63.52,-35.61,;64.14,-34.19,;63.22,-32.95,;61.69,-33.12,;60.77,-31.89,;53.1,-33.44,;53.09,-31.9,;51.77,-34.22,;51.78,-35.76,;50.45,-36.54,;50.29,-38.07,;48.79,-38.41,;48.01,-37.08,;46.48,-36.93,;49.03,-35.93,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588333
(CHEMBL5202635)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(77.45,-40.32,;76.11,-39.55,;74.78,-40.33,;74.79,-41.88,;73.45,-42.65,;72.12,-41.88,;72.12,-40.34,;70.79,-39.57,;69.45,-40.34,;73.45,-39.56,;73.47,-36.98,;74.8,-36.21,;76.13,-36.98,;74.79,-34.68,;76.12,-33.9,;76.11,-32.36,;77.46,-34.66,;77.63,-36.19,;79.14,-36.5,;79.9,-35.16,;78.87,-34.02,;81.44,-34.99,;82.34,-36.24,;83.87,-36.07,;84.49,-34.66,;86.02,-34.49,;83.57,-33.42,;82.04,-33.59,;81.13,-32.35,;73.46,-33.91,;73.45,-32.37,;72.12,-34.69,;72.13,-36.23,;70.8,-37.01,;70.65,-38.54,;69.14,-38.87,;68.36,-37.54,;66.83,-37.4,;69.39,-36.39,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588316
(CHEMBL5170657)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(Cl)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(52.86,-13.07,;51.52,-12.3,;50.19,-13.08,;50.2,-14.63,;48.85,-15.4,;47.52,-14.63,;47.52,-13.08,;46.19,-12.31,;44.85,-13.08,;48.85,-12.31,;48.78,-9.76,;50.12,-9,;51.45,-9.76,;50.11,-7.46,;51.44,-6.68,;51.44,-5.14,;52.78,-7.45,;52.94,-8.98,;54.45,-9.29,;55.22,-7.96,;54.18,-6.81,;56.75,-7.79,;57.36,-6.38,;58.88,-6.21,;59.8,-7.46,;61.34,-7.3,;59.18,-8.87,;57.65,-9.04,;57.03,-10.45,;48.77,-6.69,;48.76,-5.15,;47.44,-7.47,;47.45,-9.01,;46.12,-9.79,;44.71,-9.16,;43.69,-10.32,;44.47,-11.65,;43.86,-13.06,;45.98,-11.32,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014620
(CHEMBL414173)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
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