Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50000274 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)) | BDBM50244625
(CHEMBL4076049)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=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]1CCC(=O)N1 |r,c:21| Show InChI InChI=1S/C75H116N24O20S/c1-4-5-17-48-70(111)97-35-16-25-58(97)69(110)91-51(73(114)115)19-9-11-33-95(120(118,119)59-26-7-6-22-55(59)99(116)117)37-29-50(72(113)98-36-15-24-57(98)68(109)90-48)89-61(102)45(18-8-10-30-76)86-65(106)53(39-44-40-81-42-84-44)93-66(107)54(41-100)94-64(105)52(38-43(2)3)92-62(103)46(20-12-31-82-74(77)78)87-67(108)56-23-14-34-96(56)71(112)49(21-13-32-83-75(79)80)88-63(104)47-27-28-60(101)85-47/h6-7,9,11,22,26,40,42-43,45-54,56-58,100H,4-5,8,10,12-21,23-25,27-39,41,76H2,1-3H3,(H,81,84)(H,85,101)(H,86,106)(H,87,108)(H,88,104)(H,89,102)(H,90,109)(H,91,110)(H,92,103)(H,93,107)(H,94,105)(H,114,115)(H4,77,78,82)(H4,79,80,83)/b11-9-/t45-,46-,47-,48-,49-,50-,51+,52-,53-,54-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244579
(CHEMBL4094033)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=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]1CCC(=O)N1 |r,c:21| Show InChI InChI=1S/C75H116N24O20S/c1-4-5-17-48-70(111)97-35-16-25-58(97)69(110)91-51(73(114)115)19-9-11-33-95(120(118,119)59-26-7-6-22-55(59)99(116)117)37-29-50(72(113)98-36-15-24-57(98)68(109)90-48)89-61(102)45(18-8-10-30-76)86-65(106)53(39-44-40-81-42-84-44)93-66(107)54(41-100)94-64(105)52(38-43(2)3)92-62(103)46(20-12-31-82-74(77)78)87-67(108)56-23-14-34-96(56)71(112)49(21-13-32-83-75(79)80)88-63(104)47-27-28-60(101)85-47/h6-7,9,11,22,26,40,42-43,45-54,56-58,100H,4-5,8,10,12-21,23-25,27-39,41,76H2,1-3H3,(H,81,84)(H,85,101)(H,86,106)(H,87,108)(H,88,104)(H,89,102)(H,90,109)(H,91,110)(H,92,103)(H,93,107)(H,94,105)(H,114,115)(H4,77,78,82)(H4,79,80,83)/b11-9-/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244587
(CHEMBL4076652)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C68H106N20O16/c1-5-17-41(56(93)79-42(21-10-11-29-69)55(92)76-37-54(91)86-32-14-24-50(86)61(98)82-45(18-6-2)64(101)87-33-16-26-52(87)63(100)84-48(66(103)104)36-40-19-8-7-9-20-40)78-60(97)49(38-89)85-59(96)47(35-39(3)4)83-57(94)43(22-12-30-74-67(70)71)80-62(99)51-25-15-34-88(51)65(102)46(23-13-31-75-68(72)73)81-58(95)44-27-28-53(90)77-44/h5-9,19-20,39,41-52,89H,1-2,10-18,21-38,69H2,3-4H3,(H,76,92)(H,77,90)(H,78,97)(H,79,93)(H,80,99)(H,81,95)(H,82,98)(H,83,94)(H,84,100)(H,85,96)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/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
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50077999
(CHEMBL3417291)Show SMILES CCCC[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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244578
(CHEMBL4076755)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=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]1CCC(=O)N1 |r,c:18| Show InChI InChI=1S/C67H108N22O16/c1-4-5-15-42-62(101)89-31-14-23-51(89)61(100)83-45(65(104)105)18-7-6-17-43(63(102)88-30-13-22-50(88)60(99)82-42)80-53(92)39(16-8-9-26-68)78-57(96)47(33-38-34-73-36-76-38)85-58(97)48(35-90)86-56(95)46(32-37(2)3)84-54(93)40(19-10-27-74-66(69)70)79-59(98)49-21-12-29-87(49)64(103)44(20-11-28-75-67(71)72)81-55(94)41-24-25-52(91)77-41/h6-7,34,36-37,39-51,90H,4-5,8-33,35,68H2,1-3H3,(H,73,76)(H,77,91)(H,78,96)(H,79,98)(H,80,92)(H,81,94)(H,82,99)(H,83,100)(H,84,93)(H,85,97)(H,86,95)(H,104,105)(H4,69,70,74)(H4,71,72,75)/b7-6-/t39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244576
(CHEMBL4078407)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:56| Show InChI InChI=1S/C66H102N20O16/c1-37(2)33-45(81-55(92)41(20-10-28-72-65(68)69)78-60(97)49-23-13-31-85(49)63(100)44(21-11-29-73-66(70)71)79-56(93)42-25-26-51(88)75-42)57(94)83-47(36-87)58(95)77-40-17-6-7-19-43(62(99)86-32-14-24-50(86)61(98)82-46(64(101)102)34-38-15-4-3-5-16-38)80-59(96)48-22-12-30-84(48)52(89)35-74-53(90)39(76-54(40)91)18-8-9-27-67/h3-7,15-16,37,39-50,87H,8-14,17-36,67H2,1-2H3,(H,74,90)(H,75,88)(H,76,91)(H,77,95)(H,78,97)(H,79,93)(H,80,96)(H,81,92)(H,82,98)(H,83,94)(H,101,102)(H4,68,69,72)(H4,70,71,73)/b7-6-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244513
(CHEMBL4072080)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC=C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H110N20O16/c1-6-9-23-48(66(103)89-35-18-28-53(89)65(102)86-50(67(104)105)37-41-21-11-10-12-22-41)84-64(101)52-27-17-34-88(52)55(92)38-77-56(93)44(24-13-14-31-70)81-57(94)43(20-8-3)80-63(100)51(39-90)87-62(99)49(36-40(4)5)85-60(97)46(26-16-33-76-69(73)74)82-58(95)42(19-7-2)79-59(96)45(25-15-32-75-68(71)72)83-61(98)47-29-30-54(91)78-47/h7-8,10-12,21-22,40,42-53,90H,2-3,6,9,13-20,23-39,70H2,1,4-5H3,(H,77,93)(H,78,91)(H,79,96)(H,80,100)(H,81,94)(H,82,95)(H,83,98)(H,84,101)(H,85,97)(H,86,102)(H,87,99)(H,104,105)(H4,71,72,75)(H4,73,74,76)/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244519
(CHEMBL4093319)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C69H112N22O16/c1-6-9-19-45(65(104)91-33-16-25-53(91)63(102)85-47(18-8-3)67(106)107)84-62(101)52-24-15-31-89(52)64(103)44(17-7-2)82-55(94)41(20-10-11-28-70)80-59(98)49(35-40-36-75-38-78-40)87-60(99)50(37-92)88-58(97)48(34-39(4)5)86-56(95)42(21-12-29-76-68(71)72)81-61(100)51-23-14-32-90(51)66(105)46(22-13-30-77-69(73)74)83-57(96)43-26-27-54(93)79-43/h7-8,36,38-39,41-53,92H,2-3,6,9-35,37,70H2,1,4-5H3,(H,75,78)(H,79,93)(H,80,98)(H,81,100)(H,82,94)(H,83,96)(H,84,101)(H,85,102)(H,86,95)(H,87,99)(H,88,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244518
(CHEMBL4072606)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)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]1CCC(=O)N1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H105N21O16/c1-6-9-21-44(58(96)81-43(18-8-3)57(95)87-50(67(105)106)33-40-19-11-10-12-20-40)82-64(102)52-24-15-30-89(52)55(93)36-77-56(94)42(17-7-2)80-62(100)49(34-41-35-74-38-78-41)86-63(101)51(37-91)88-61(99)48(32-39(4)5)85-59(97)45(22-13-28-75-68(70)71)83-65(103)53-25-16-31-90(53)66(104)47(23-14-29-76-69(72)73)84-60(98)46-26-27-54(92)79-46/h7-8,10-12,19-20,35,38-39,42-53,91H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,74,78)(H,77,94)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,103)(H,84,98)(H,85,97)(H,86,101)(H,87,95)(H,88,99)(H,105,106)(H4,70,71,75)(H4,72,73,76)/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244511
(CHEMBL4077162)Show SMILES CCCC[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)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H108N22O15/c1-4-7-22-47(65(103)91-34-17-28-54(91)64(102)87-50(67(105)106)35-41-20-9-8-10-21-41)85-62(100)52-26-15-32-89(52)55(93)38-79-57(95)45(23-11-12-29-70)82-60(98)49(36-42-37-76-40-80-42)86-61(99)51(39-92)88-58(96)44(19-6-3)81-59(97)46(24-13-30-77-68(72)73)83-63(101)53-27-16-33-90(53)66(104)48(25-14-31-78-69(74)75)84-56(94)43(71)18-5-2/h5-6,8-10,20-21,37,40,43-54,92H,2-4,7,11-19,22-36,38-39,70-71H2,1H3,(H,76,80)(H,79,95)(H,81,97)(H,82,98)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,87,102)(H,88,96)(H,105,106)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244514
(CHEMBL4075302)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)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)N(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C72H109N21O16/c1-6-9-21-47(67(105)92-33-16-25-55(92)66(104)88-51(70(108)109)36-43-19-11-10-12-20-43)85-64(102)53-24-15-32-90(53)58(96)39-80-59(97)45(18-7-2)83-62(100)50(37-44-38-77-41-81-44)86-63(101)52(40-94)89-61(99)49(35-42(4)5)87-65(103)54(23-14-30-79-72(75)76)91(31-8-3)69(107)56-26-17-34-93(56)68(106)48(22-13-29-78-71(73)74)84-60(98)46-27-28-57(95)82-46/h7-8,10-12,19-20,38,41-42,45-56,94H,2-3,6,9,13-18,21-37,39-40H2,1,4-5H3,(H,77,81)(H,80,97)(H,82,95)(H,83,100)(H,84,98)(H,85,102)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244586
(CHEMBL4083756)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC=C)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)N(CC=C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C75H116N22O15/c1-6-9-23-51(70(108)96-37-18-28-57(96)69(107)93-55(73(111)112)40-46-21-11-10-12-22-46)90-67(105)56-27-17-36-94(56)61(99)43-84-62(100)49(24-13-14-32-76)88-66(104)54(41-47-42-81-44-85-47)92-63(101)48(20-7-2)87-65(103)53(39-45(4)5)91-64(102)50(25-15-33-82-74(77)78)89-68(106)58-29-19-38-97(58)72(110)59(26-16-34-83-75(79)80)95(35-8-3)71(109)52-30-31-60(98)86-52/h7-8,10-12,21-22,42,44-45,48-59H,2-3,6,9,13-20,23-41,43,76H2,1,4-5H3,(H,81,85)(H,84,100)(H,86,98)(H,87,103)(H,88,104)(H,89,106)(H,90,105)(H,91,102)(H,92,101)(H,93,107)(H,111,112)(H4,77,78,82)(H4,79,80,83)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2 |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244534
(CHEMBL4083079)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:31| Show InChI InChI=1S/C67H106N20O16/c1-4-5-19-46(64(101)87-33-16-26-51(87)63(100)84-48(65(102)103)35-39-17-7-6-8-18-39)82-62(99)50-25-15-32-86(50)53(90)36-75-54(91)40(22-11-12-29-68)77-55(92)42-21-10-9-20-41(78-57(94)43(23-13-30-73-66(69)70)80-59(96)45-27-28-52(89)76-45)56(93)79-44(24-14-31-74-67(71)72)58(95)83-47(34-38(2)3)60(97)85-49(37-88)61(98)81-42/h6-10,17-18,38,40-51,88H,4-5,11-16,19-37,68H2,1-3H3,(H,75,91)(H,76,89)(H,77,92)(H,78,94)(H,79,93)(H,80,96)(H,81,98)(H,82,99)(H,83,95)(H,84,100)(H,85,97)(H,102,103)(H4,69,70,73)(H4,71,72,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244515
(CHEMBL4104256)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C72H110N22O16/c1-4-7-22-49(68(107)94-36-17-28-56(94)66(105)90-52(70(109)110)37-42-20-9-8-10-21-42)88-65(104)55-27-16-34-92(55)67(106)48(19-6-3)86-60(99)45(23-11-12-31-73)84-62(101)51(38-43-39-78-41-81-43)89-63(102)53(40-95)91-58(97)44(18-5-2)83-59(98)46(24-13-32-79-71(74)75)85-64(103)54-26-15-35-93(54)69(108)50(25-14-33-80-72(76)77)87-61(100)47-29-30-57(96)82-47/h5-6,8-10,20-21,39,41,44-56,95H,2-4,7,11-19,22-38,40,73H2,1H3,(H,78,81)(H,82,96)(H,83,98)(H,84,101)(H,85,103)(H,86,99)(H,87,100)(H,88,104)(H,89,102)(H,90,105)(H,91,97)(H,109,110)(H4,74,75,79)(H4,76,77,80)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244523
(CHEMBL4100822)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:42| Show InChI InChI=1S/C73H112N22O15/c1-42(2)35-50-63(101)86-47(20-9-11-31-95(68(106)49-26-27-58(96)84-49)57(22-13-30-81-73(77)78)70(108)94-34-16-25-56(94)66(104)87-48(62(100)88-50)21-12-29-80-72(75)76)61(99)89-51(38-45-39-79-41-83-45)64(102)85-46(19-8-10-28-74)60(98)82-40-59(97)92-32-14-23-54(92)65(103)90-52(36-43(3)4)69(107)93-33-15-24-55(93)67(105)91-53(71(109)110)37-44-17-6-5-7-18-44/h5-7,9,11,17-18,39,41-43,46-57H,8,10,12-16,19-38,40,74H2,1-4H3,(H,79,83)(H,82,98)(H,84,96)(H,85,102)(H,86,101)(H,87,104)(H,88,100)(H,89,99)(H,90,103)(H,91,105)(H,109,110)(H4,75,76,80)(H4,77,78,81)/b11-9-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244520
(CHEMBL4076140)Show SMILES CCCC[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]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:48| Show InChI InChI=1S/C67H104N22O15/c1-2-3-19-45(63(101)89-32-15-26-52(89)62(100)85-48(65(103)104)33-39-16-5-4-6-17-39)83-60(98)50-24-13-30-87(50)53(91)36-77-55(93)42(21-9-10-27-68)79-58(96)47(34-40-35-74-38-78-40)84-59(97)49(37-90)86-57(95)43-20-8-7-18-41(69)54(92)82-46(23-12-29-76-67(72)73)64(102)88-31-14-25-51(88)61(99)81-44(56(94)80-43)22-11-28-75-66(70)71/h4-8,16-17,35,38,41-52,90H,2-3,9-15,18-34,36-37,68-69H2,1H3,(H,74,78)(H,77,93)(H,79,96)(H,80,94)(H,81,99)(H,82,92)(H,83,98)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/b8-7-/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244626
(CHEMBL4101053)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:22| Show InChI InChI=1S/C70H105N21O16/c1-4-5-18-45(65(103)89-31-14-23-53(89)64(102)86-49(68(106)107)34-41-16-7-6-8-17-41)83-62(100)51-22-13-30-88(51)56(94)37-78-57(95)43-19-9-10-29-90(67(105)54-24-15-32-91(54)66(104)46(20-11-27-76-69(71)72)82-58(96)44-25-26-55(93)80-44)52(21-12-28-77-70(73)74)63(101)85-47(33-40(2)3)59(97)87-50(38-92)61(99)84-48(60(98)81-43)35-42-36-75-39-79-42/h6-10,16-17,36,39-40,43-54,92H,4-5,11-15,18-35,37-38H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,98)(H,82,96)(H,83,100)(H,84,99)(H,85,101)(H,86,102)(H,87,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/b10-9-/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244577
(CHEMBL4087671)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C\C=C/C[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)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]1CCC(=O)N1 |r,c:22| Show InChI InChI=1S/C67H101N21O16/c1-4-5-17-41-55(93)79-42(57(95)85-48(65(103)104)31-38-15-7-6-8-16-38)19-10-9-18-40(54(92)75-34-53(91)87-28-13-22-50(87)62(100)80-41)78-60(98)47(32-39-33-72-36-76-39)84-61(99)49(35-89)86-59(97)46(30-37(2)3)83-56(94)43(20-11-26-73-66(68)69)81-63(101)51-23-14-29-88(51)64(102)45(21-12-27-74-67(70)71)82-58(96)44-24-25-52(90)77-44/h6-10,15-16,33,36-37,40-51,89H,4-5,11-14,17-32,34-35H2,1-3H3,(H,72,76)(H,75,92)(H,77,90)(H,78,98)(H,79,93)(H,80,100)(H,81,101)(H,82,96)(H,83,94)(H,84,99)(H,85,95)(H,86,97)(H,103,104)(H4,68,69,73)(H4,70,71,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244516
(CHEMBL4080763)Show SMILES CCCC[C@H](NC(=O)[C@H](CC=C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)N(CC=C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(C)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C74H115N21O16/c1-7-10-23-52(70(107)95-36-19-28-58(95)68(105)92-56(73(110)111)38-46-21-12-11-13-22-46)88-63(100)48(20-8-2)85-61(98)41-82-62(99)49(24-14-15-31-75)86-66(103)54(39-47-40-79-43-83-47)90-69(106)59(42-96)93(34-9-3)72(109)55(37-44(4)5)91-64(101)50(25-16-32-80-45(6)76)87-67(104)57-27-18-35-94(57)71(108)53(26-17-33-81-74(77)78)89-65(102)51-29-30-60(97)84-51/h8-9,11-13,21-22,40,43-44,48-59,96H,2-3,7,10,14-20,23-39,41-42,75H2,1,4-6H3,(H2,76,80)(H,79,83)(H,82,99)(H,84,97)(H,85,98)(H,86,103)(H,87,104)(H,88,100)(H,89,102)(H,90,106)(H,91,101)(H,92,105)(H,110,111)(H4,77,78,81)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244563
(CHEMBL4093831)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:18| Show InChI InChI=1S/C70H106N22O16/c1-2-3-18-46(65(104)92-34-15-26-54(92)64(103)88-50(68(107)108)35-40-16-5-4-6-17-40)86-63(102)53-25-14-33-91(53)66(105)47-21-8-7-19-42(58(97)89-51(38-93)61(100)87-49(36-41-37-76-39-79-41)60(99)82-43(57(96)84-47)20-9-10-29-71)81-56(95)44(22-11-30-77-69(72)73)83-62(101)52-24-13-32-90(52)67(106)48(23-12-31-78-70(74)75)85-59(98)45-27-28-55(94)80-45/h4-8,16-17,37,39,42-54,93H,2-3,9-15,18-36,38,71H2,1H3,(H,76,79)(H,80,94)(H,81,95)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,86,102)(H,87,100)(H,88,103)(H,89,97)(H,107,108)(H4,72,73,77)(H4,74,75,78)/b8-7-/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244575
(CHEMBL4067504)Show SMILES CCCC[C@H](NC(=O)[C@@H]1C\C=C/CN([C@@H](CO)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1)C(=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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:10| Show InChI InChI=1S/C71H110N22O16/c1-4-5-19-48(66(105)92-33-16-25-54(92)64(103)90-52(69(108)109)35-42-17-7-6-8-18-42)86-59(98)45-21-10-12-31-93(55(39-94)65(104)88-50(36-43-37-77-40-81-43)62(101)84-44(20-9-11-28-72)58(97)80-38-57(96)83-45)68(107)51(34-41(2)3)89-60(99)46(22-13-29-78-70(73)74)85-63(102)53-24-15-32-91(53)67(106)49(23-14-30-79-71(75)76)87-61(100)47-26-27-56(95)82-47/h6-8,10,12,17-18,37,40-41,44-55,94H,4-5,9,11,13-16,19-36,38-39,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,96)(H,84,101)(H,85,102)(H,86,98)(H,87,100)(H,88,104)(H,89,99)(H,90,103)(H,108,109)(H4,73,74,78)(H4,75,76,79)/b12-10-/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244517
(CHEMBL4063462)Show SMILES CCCC[C@H](NC(=O)[C@H](CC=C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC=C)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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C72H112N22O15/c1-6-9-23-50(68(106)94-35-18-28-56(94)67(105)92-54(70(108)109)37-43-21-11-10-12-22-43)88-60(98)45(19-7-2)84-58(96)40-81-59(97)47(24-13-14-31-73)86-65(103)53(38-44-39-78-41-82-44)91-61(99)46(20-8-3)85-64(102)52(36-42(4)5)90-62(100)48(25-15-32-79-71(74)75)87-66(104)55-27-17-34-93(55)69(107)51(26-16-33-80-72(76)77)89-63(101)49-29-30-57(95)83-49/h7-8,10-12,21-22,39,41-42,45-56H,2-3,6,9,13-20,23-38,40,73H2,1,4-5H3,(H,78,82)(H,81,97)(H,83,95)(H,84,96)(H,85,102)(H,86,103)(H,87,104)(H,88,98)(H,89,101)(H,90,100)(H,91,99)(H,92,105)(H,108,109)(H4,74,75,79)(H4,76,77,80)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244583
(CHEMBL4075293)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCNC\C=C/C[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=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]1CCC(=O)N1 |r,c:21| Show InChI InChI=1S/C69H113N23O16/c1-4-5-15-44-64(104)91-32-14-22-53(91)63(103)86-47(67(107)108)17-7-9-27-75-30-25-46(66(106)92-33-13-21-52(92)62(102)85-44)84-55(95)41(16-6-8-26-70)81-59(99)49(35-40-36-76-38-79-40)88-60(100)50(37-93)89-58(98)48(34-39(2)3)87-56(96)42(18-10-28-77-68(71)72)82-61(101)51-20-12-31-90(51)65(105)45(19-11-29-78-69(73)74)83-57(97)43-23-24-54(94)80-43/h7,9,36,38-39,41-53,75,93H,4-6,8,10-35,37,70H2,1-3H3,(H,76,79)(H,80,94)(H,81,99)(H,82,101)(H,83,97)(H,84,95)(H,85,102)(H,86,103)(H,87,96)(H,88,100)(H,89,98)(H,107,108)(H4,71,72,77)(H4,73,74,78)/b9-7-/t41-,42-,43-,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 206 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244633
(CHEMBL4094924)Show SMILES CCCC[C@H](NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:10| Show InChI InChI=1S/C70H108N22O15/c1-4-5-19-48(66(104)92-33-16-26-54(92)65(103)90-52(68(106)107)35-41-17-7-6-8-18-41)86-58(96)44-20-9-10-21-45(59(97)89-51(36-42-37-76-39-80-42)63(101)83-43(22-11-12-29-71)57(95)79-38-56(94)82-44)84-62(100)50(34-40(2)3)88-60(98)46(23-13-30-77-69(72)73)85-64(102)53-25-15-32-91(53)67(105)49(24-14-31-78-70(74)75)87-61(99)47-27-28-55(93)81-47/h6-10,17-18,37,39-40,43-54H,4-5,11-16,19-36,38,71H2,1-3H3,(H,76,80)(H,79,95)(H,81,93)(H,82,94)(H,83,101)(H,84,100)(H,85,102)(H,86,96)(H,87,99)(H,88,98)(H,89,97)(H,90,103)(H,106,107)(H4,72,73,77)(H4,74,75,78)/b10-9-/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244634
(CHEMBL4075988)Show SMILES CCCC[C@@H]1NC(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=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)N1CCC[C@H]1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1 |r,c:10| Show InChI InChI=1S/C73H113N23O17/c1-4-5-19-49-69(110)95-32-16-26-56(95)68(109)92-52(35-42-17-7-6-8-18-42)65(106)89-50(70(111)112)22-10-9-20-46(61(102)88-49)85-58(99)38-82-60(101)45(21-11-12-29-74)87-66(107)53(36-43-37-79-40-83-43)91-67(108)54(39-97)93-64(105)51(34-41(2)3)90-62(103)47(24-14-31-81-72(77)78)94-73(113)96-33-15-25-55(96)59(100)44(23-13-30-80-71(75)76)86-63(104)48-27-28-57(98)84-48/h6-10,17-18,37,40-41,44-56,97H,4-5,11-16,19-36,38-39,74H2,1-3H3,(H,79,83)(H,82,101)(H,84,98)(H,85,99)(H,86,104)(H,87,107)(H,88,102)(H,89,106)(H,90,103)(H,91,108)(H,92,109)(H,93,105)(H,94,113)(H,111,112)(H4,75,76,80)(H4,77,78,81)/b10-9-/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244628
(CHEMBL4075835)Show SMILES CCCC[C@H](NC(=O)[C@H](CC=C)NC(=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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C75H117N23O17/c1-6-9-23-50(71(112)98-35-18-28-58(98)70(111)95-54(37-44-21-11-10-12-22-44)66(107)92-52(20-8-3)73(114)115)90-62(103)46(19-7-2)87-60(101)40-84-61(102)47(24-13-14-31-76)88-67(108)55(38-45-39-81-42-85-45)94-68(109)56(41-99)96-65(106)53(36-43(4)5)93-63(104)48(25-15-32-82-74(77)78)89-69(110)57-27-17-34-97(57)72(113)51(26-16-33-83-75(79)80)91-64(105)49-29-30-59(100)86-49/h7-8,10-12,21-22,39,42-43,46-58,99H,2-3,6,9,13-20,23-38,40-41,76H2,1,4-5H3,(H,81,85)(H,84,102)(H,86,100)(H,87,101)(H,88,108)(H,89,110)(H,90,103)(H,91,105)(H,92,107)(H,93,104)(H,94,109)(H,95,111)(H,96,106)(H,114,115)(H4,77,78,82)(H4,79,80,83)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 445 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand. |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244627
(CHEMBL4075499)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC=C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C68H100N18O16/c1-6-9-21-45(65(99)86-31-16-25-53(86)64(98)82-49(67(101)102)33-40-19-11-10-12-20-40)79-62(96)51-23-14-29-84(51)55(89)36-73-56(90)42(17-7-2)76-60(94)48(34-41-35-71-38-74-41)81-61(95)50(37-87)83-59(93)47(32-39(4)5)80-57(91)43(18-8-3)77-63(97)52-24-15-30-85(52)66(100)46(22-13-28-72-68(69)70)78-58(92)44-26-27-54(88)75-44/h7-8,10-12,19-20,35,38-39,42-53,87H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,71,74)(H,73,90)(H,75,88)(H,76,94)(H,77,97)(H,78,92)(H,79,96)(H,80,91)(H,81,95)(H,82,98)(H,83,93)(H,101,102)(H4,69,70,72)/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 489 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244533
(CHEMBL4075634)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:42| Show InChI InChI=1S/C69H103N19O15/c1-4-5-19-47(66(100)88-33-16-26-54(88)65(99)85-51(68(102)103)35-41-17-7-6-8-18-41)82-63(97)52-24-14-31-86(52)56(90)38-75-57(91)43(21-11-12-29-70)78-62(96)50(36-42-37-73-39-76-42)84-58(92)44-20-9-10-22-48(81-60(94)46-27-28-55(89)77-46)67(101)87-32-15-25-53(87)64(98)80-45(23-13-30-74-69(71)72)59(93)83-49(34-40(2)3)61(95)79-44/h6-10,17-18,37,39-40,43-54H,4-5,11-16,19-36,38,70H2,1-3H3,(H,73,76)(H,75,91)(H,77,89)(H,78,96)(H,79,95)(H,80,98)(H,81,94)(H,82,97)(H,83,93)(H,84,92)(H,85,99)(H,102,103)(H4,71,72,74)/b10-9-/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244512
(CHEMBL4067669)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC=C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C71H107N19O15/c1-6-9-23-50(69(103)90-35-18-28-56(90)67(101)87-53(70(104)105)37-43-21-11-10-12-22-43)84-65(99)54-26-16-33-88(54)58(92)40-77-59(93)46(24-13-14-31-72)81-64(98)52(38-44-39-75-41-78-44)86-60(94)45(19-7-2)80-63(97)51(36-42(4)5)85-61(95)47(25-15-32-76-71(73)74)82-66(100)55-27-17-34-89(55)68(102)49(20-8-3)83-62(96)48-29-30-57(91)79-48/h7-8,10-12,21-22,39,41-42,45-56H,2-3,6,9,13-20,23-38,40,72H2,1,4-5H3,(H,75,78)(H,77,93)(H,79,91)(H,80,97)(H,81,98)(H,82,100)(H,83,96)(H,84,99)(H,85,95)(H,86,94)(H,87,101)(H,104,105)(H4,73,74,76)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 523 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244580
(CHEMBL4073382)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCNC\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=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]1CCC(=O)N1 |r,c:21| Show InChI InChI=1S/C69H113N23O16/c1-4-5-15-44-64(104)91-32-14-22-53(91)63(103)86-47(67(107)108)17-7-9-27-75-30-25-46(66(106)92-33-13-21-52(92)62(102)85-44)84-55(95)41(16-6-8-26-70)81-59(99)49(35-40-36-76-38-79-40)88-60(100)50(37-93)89-58(98)48(34-39(2)3)87-56(96)42(18-10-28-77-68(71)72)82-61(101)51-20-12-31-90(51)65(105)45(19-11-29-78-69(73)74)83-57(97)43-23-24-54(94)80-43/h7,9,36,38-39,41-53,75,93H,4-6,8,10-35,37,70H2,1-3H3,(H,76,79)(H,80,94)(H,81,99)(H,82,101)(H,83,97)(H,84,95)(H,85,102)(H,86,103)(H,87,96)(H,88,100)(H,89,98)(H,107,108)(H4,71,72,77)(H4,73,74,78)/b9-7-/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 917 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244535
(CHEMBL4071989)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:22| Show InChI InChI=1S/C66H96N18O16/c1-4-5-17-43(63(97)84-29-14-23-51(84)62(96)80-47(65(99)100)31-38-15-7-6-8-16-38)77-60(94)49-21-12-27-82(49)53(87)34-71-54(88)40-18-9-10-19-41(55(89)78-45(30-37(2)3)57(91)81-48(35-85)59(93)79-46(58(92)74-40)32-39-33-69-36-72-39)75-61(95)50-22-13-28-83(50)64(98)44(20-11-26-70-66(67)68)76-56(90)42-24-25-52(86)73-42/h6-10,15-16,33,36-37,40-51,85H,4-5,11-14,17-32,34-35H2,1-3H3,(H,69,72)(H,71,88)(H,73,86)(H,74,92)(H,75,95)(H,76,90)(H,77,94)(H,78,89)(H,79,93)(H,80,96)(H,81,91)(H,99,100)(H4,67,68,70)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244585
(CHEMBL4104774)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCNC\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O |r,c:22| Show InChI InChI=1S/C26H42N6O6/c1-2-3-8-18-25(36)32-16-7-11-21(32)23(34)30-19(26(37)38)9-4-5-13-28-14-12-17(27)24(35)31-15-6-10-20(31)22(33)29-18/h4-5,17-21,28H,2-3,6-16,27H2,1H3,(H,29,33)(H,30,34)(H,37,38)/b5-4-/t17-,18-,19-,20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244584
(CHEMBL4075607)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCN(C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O |r,c:22| Show InChI InChI=1S/C32H45N7O10S/c1-2-3-10-22-31(43)38-19-9-14-26(38)29(41)35-23(32(44)45)11-6-7-17-36(50(48,49)27-15-5-4-12-24(27)39(46)47)20-16-21(33)30(42)37-18-8-13-25(37)28(40)34-22/h4-7,12,15,21-23,25-26H,2-3,8-11,13-14,16-20,33H2,1H3,(H,34,40)(H,35,41)(H,44,45)/b7-6-/t21-,22-,23-,25-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244511
(CHEMBL4077162)Show SMILES CCCC[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)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H108N22O15/c1-4-7-22-47(65(103)91-34-17-28-54(91)64(102)87-50(67(105)106)35-41-20-9-8-10-21-41)85-62(100)52-26-15-32-89(52)55(93)38-79-57(95)45(23-11-12-29-70)82-60(98)49(36-42-37-76-40-80-42)86-61(99)51(39-92)88-58(96)44(19-6-3)81-59(97)46(24-13-30-77-68(72)73)83-63(101)53-27-16-33-90(53)66(104)48(25-14-31-78-69(74)75)84-56(94)43(71)18-5-2/h5-6,8-10,20-21,37,40,43-54,92H,2-4,7,11-19,22-36,38-39,70-71H2,1H3,(H,76,80)(H,79,95)(H,81,97)(H,82,98)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,87,102)(H,88,96)(H,105,106)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244586
(CHEMBL4083756)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC=C)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)N(CC=C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C75H116N22O15/c1-6-9-23-51(70(108)96-37-18-28-57(96)69(107)93-55(73(111)112)40-46-21-11-10-12-22-46)90-67(105)56-27-17-36-94(56)61(99)43-84-62(100)49(24-13-14-32-76)88-66(104)54(41-47-42-81-44-85-47)92-63(101)48(20-7-2)87-65(103)53(39-45(4)5)91-64(102)50(25-15-33-82-74(77)78)89-68(106)58-29-19-38-97(58)72(110)59(26-16-34-83-75(79)80)95(35-8-3)71(109)52-30-31-60(98)86-52/h7-8,10-12,21-22,42,44-45,48-59H,2-3,6,9,13-20,23-41,43,76H2,1,4-5H3,(H,81,85)(H,84,100)(H,86,98)(H,87,103)(H,88,104)(H,89,106)(H,90,105)(H,91,102)(H,92,101)(H,93,107)(H,111,112)(H4,77,78,82)(H4,79,80,83)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand. |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244514
(CHEMBL4075302)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)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)N(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C72H109N21O16/c1-6-9-21-47(67(105)92-33-16-25-55(92)66(104)88-51(70(108)109)36-43-19-11-10-12-20-43)85-64(102)53-24-15-32-90(53)58(96)39-80-59(97)45(18-7-2)83-62(100)50(37-44-38-77-41-81-44)86-63(101)52(40-94)89-61(99)49(35-42(4)5)87-65(103)54(23-14-30-79-72(75)76)91(31-8-3)69(107)56-26-17-34-93(56)68(106)48(22-13-29-78-71(73)74)84-60(98)46-27-28-57(95)82-46/h7-8,10-12,19-20,38,41-42,45-56,94H,2-3,6,9,13-18,21-37,39-40H2,1,4-5H3,(H,77,81)(H,80,97)(H,82,95)(H,83,100)(H,84,98)(H,85,102)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244587
(CHEMBL4076652)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C68H106N20O16/c1-5-17-41(56(93)79-42(21-10-11-29-69)55(92)76-37-54(91)86-32-14-24-50(86)61(98)82-45(18-6-2)64(101)87-33-16-26-52(87)63(100)84-48(66(103)104)36-40-19-8-7-9-20-40)78-60(97)49(38-89)85-59(96)47(35-39(3)4)83-57(94)43(22-12-30-74-67(70)71)80-62(99)51-25-15-34-88(51)65(102)46(23-13-31-75-68(72)73)81-58(95)44-27-28-53(90)77-44/h5-9,19-20,39,41-52,89H,1-2,10-18,21-38,69H2,3-4H3,(H,76,92)(H,77,90)(H,78,97)(H,79,93)(H,80,99)(H,81,95)(H,82,98)(H,83,94)(H,84,100)(H,85,96)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244518
(CHEMBL4072606)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)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]1CCC(=O)N1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H105N21O16/c1-6-9-21-44(58(96)81-43(18-8-3)57(95)87-50(67(105)106)33-40-19-11-10-12-20-40)82-64(102)52-24-15-30-89(52)55(93)36-77-56(94)42(17-7-2)80-62(100)49(34-41-35-74-38-78-41)86-63(101)51(37-91)88-61(99)48(32-39(4)5)85-59(97)45(22-13-28-75-68(70)71)83-65(103)53-25-16-31-90(53)66(104)47(23-14-29-76-69(72)73)84-60(98)46-26-27-54(92)79-46/h7-8,10-12,19-20,35,38-39,42-53,91H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,74,78)(H,77,94)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,103)(H,84,98)(H,85,97)(H,86,101)(H,87,95)(H,88,99)(H,105,106)(H4,70,71,75)(H4,72,73,76)/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244520
(CHEMBL4076140)Show SMILES CCCC[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]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:48| Show InChI InChI=1S/C67H104N22O15/c1-2-3-19-45(63(101)89-32-15-26-52(89)62(100)85-48(65(103)104)33-39-16-5-4-6-17-39)83-60(98)50-24-13-30-87(50)53(91)36-77-55(93)42(21-9-10-27-68)79-58(96)47(34-40-35-74-38-78-40)84-59(97)49(37-90)86-57(95)43-20-8-7-18-41(69)54(92)82-46(23-12-29-76-67(72)73)64(102)88-31-14-25-51(88)61(99)81-44(56(94)80-43)22-11-28-75-66(70)71/h4-8,16-17,35,38,41-52,90H,2-3,9-15,18-34,36-37,68-69H2,1H3,(H,74,78)(H,77,93)(H,79,96)(H,80,94)(H,81,99)(H,82,92)(H,83,98)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/b8-7-/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand. |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244523
(CHEMBL4100822)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:42| Show InChI InChI=1S/C73H112N22O15/c1-42(2)35-50-63(101)86-47(20-9-11-31-95(68(106)49-26-27-58(96)84-49)57(22-13-30-81-73(77)78)70(108)94-34-16-25-56(94)66(104)87-48(62(100)88-50)21-12-29-80-72(75)76)61(99)89-51(38-45-39-79-41-83-45)64(102)85-46(19-8-10-28-74)60(98)82-40-59(97)92-32-14-23-54(92)65(103)90-52(36-43(3)4)69(107)93-33-15-24-55(93)67(105)91-53(71(109)110)37-44-17-6-5-7-18-44/h5-7,9,11,17-18,39,41-43,46-57H,8,10,12-16,19-38,40,74H2,1-4H3,(H,79,83)(H,82,98)(H,84,96)(H,85,102)(H,86,101)(H,87,104)(H,88,100)(H,89,99)(H,90,103)(H,91,105)(H,109,110)(H4,75,76,80)(H4,77,78,81)/b11-9-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244534
(CHEMBL4083079)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:31| Show InChI InChI=1S/C67H106N20O16/c1-4-5-19-46(64(101)87-33-16-26-51(87)63(100)84-48(65(102)103)35-39-17-7-6-8-18-39)82-62(99)50-25-15-32-86(50)53(90)36-75-54(91)40(22-11-12-29-68)77-55(92)42-21-10-9-20-41(78-57(94)43(23-13-30-73-66(69)70)80-59(96)45-27-28-52(89)76-45)56(93)79-44(24-14-31-74-67(71)72)58(95)83-47(34-38(2)3)60(97)85-49(37-88)61(98)81-42/h6-10,17-18,38,40-51,88H,4-5,11-16,19-37,68H2,1-3H3,(H,75,91)(H,76,89)(H,77,92)(H,78,94)(H,79,93)(H,80,96)(H,81,98)(H,82,99)(H,83,95)(H,84,100)(H,85,97)(H,102,103)(H4,69,70,73)(H4,71,72,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244576
(CHEMBL4078407)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:56| Show InChI InChI=1S/C66H102N20O16/c1-37(2)33-45(81-55(92)41(20-10-28-72-65(68)69)78-60(97)49-23-13-31-85(49)63(100)44(21-11-29-73-66(70)71)79-56(93)42-25-26-51(88)75-42)57(94)83-47(36-87)58(95)77-40-17-6-7-19-43(62(99)86-32-14-24-50(86)61(98)82-46(64(101)102)34-38-15-4-3-5-16-38)80-59(96)48-22-12-30-84(48)52(89)35-74-53(90)39(76-54(40)91)18-8-9-27-67/h3-7,15-16,37,39-50,87H,8-14,17-36,67H2,1-2H3,(H,74,90)(H,75,88)(H,76,91)(H,77,95)(H,78,97)(H,79,93)(H,80,96)(H,81,92)(H,82,98)(H,83,94)(H,101,102)(H4,68,69,72)(H4,70,71,73)/b7-6-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244577
(CHEMBL4087671)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C\C=C/C[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)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]1CCC(=O)N1 |r,c:22| Show InChI InChI=1S/C67H101N21O16/c1-4-5-17-41-55(93)79-42(57(95)85-48(65(103)104)31-38-15-7-6-8-16-38)19-10-9-18-40(54(92)75-34-53(91)87-28-13-22-50(87)62(100)80-41)78-60(98)47(32-39-33-72-36-76-39)84-61(99)49(35-89)86-59(97)46(30-37(2)3)83-56(94)43(20-11-26-73-66(68)69)81-63(101)51-23-14-29-88(51)64(102)45(21-12-27-74-67(70)71)82-58(96)44-24-25-52(90)77-44/h6-10,15-16,33,36-37,40-51,89H,4-5,11-14,17-32,34-35H2,1-3H3,(H,72,76)(H,75,92)(H,77,90)(H,78,98)(H,79,93)(H,80,100)(H,81,101)(H,82,96)(H,83,94)(H,84,99)(H,85,95)(H,86,97)(H,103,104)(H4,68,69,73)(H4,70,71,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244579
(CHEMBL4094033)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=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]1CCC(=O)N1 |r,c:21| Show InChI InChI=1S/C75H116N24O20S/c1-4-5-17-48-70(111)97-35-16-25-58(97)69(110)91-51(73(114)115)19-9-11-33-95(120(118,119)59-26-7-6-22-55(59)99(116)117)37-29-50(72(113)98-36-15-24-57(98)68(109)90-48)89-61(102)45(18-8-10-30-76)86-65(106)53(39-44-40-81-42-84-44)93-66(107)54(41-100)94-64(105)52(38-43(2)3)92-62(103)46(20-12-31-82-74(77)78)87-67(108)56-23-14-34-96(56)71(112)49(21-13-32-83-75(79)80)88-63(104)47-27-28-60(101)85-47/h6-7,9,11,22,26,40,42-43,45-54,56-58,100H,4-5,8,10,12-21,23-25,27-39,41,76H2,1-3H3,(H,81,84)(H,85,101)(H,86,106)(H,87,108)(H,88,104)(H,89,102)(H,90,109)(H,91,110)(H,92,103)(H,93,107)(H,94,105)(H,114,115)(H4,77,78,82)(H4,79,80,83)/b11-9-/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand. |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244625
(CHEMBL4076049)Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=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]1CCC(=O)N1 |r,c:21| Show InChI InChI=1S/C75H116N24O20S/c1-4-5-17-48-70(111)97-35-16-25-58(97)69(110)91-51(73(114)115)19-9-11-33-95(120(118,119)59-26-7-6-22-55(59)99(116)117)37-29-50(72(113)98-36-15-24-57(98)68(109)90-48)89-61(102)45(18-8-10-30-76)86-65(106)53(39-44-40-81-42-84-44)93-66(107)54(41-100)94-64(105)52(38-43(2)3)92-62(103)46(20-12-31-82-74(77)78)87-67(108)56-23-14-34-96(56)71(112)49(21-13-32-83-75(79)80)88-63(104)47-27-28-60(101)85-47/h6-7,9,11,22,26,40,42-43,45-54,56-58,100H,4-5,8,10,12-21,23-25,27-39,41,76H2,1-3H3,(H,81,84)(H,85,101)(H,86,106)(H,87,108)(H,88,104)(H,89,102)(H,90,109)(H,91,110)(H,92,103)(H,93,107)(H,94,105)(H,114,115)(H4,77,78,82)(H4,79,80,83)/b11-9-/t45-,46-,47-,48-,49-,50-,51+,52-,53-,54-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)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]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/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
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed as induction of RlucII-tagged beta-arrestin-2 recruitment after 30 min... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244586
(CHEMBL4083756)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC=C)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)N(CC=C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C75H116N22O15/c1-6-9-23-51(70(108)96-37-18-28-57(96)69(107)93-55(73(111)112)40-46-21-11-10-12-22-46)90-67(105)56-27-17-36-94(56)61(99)43-84-62(100)49(24-13-14-32-76)88-66(104)54(41-47-42-81-44-85-47)92-63(101)48(20-7-2)87-65(103)53(39-45(4)5)91-64(102)50(25-15-33-82-74(77)78)89-68(106)58-29-19-38-97(58)72(110)59(26-16-34-83-75(79)80)95(35-8-3)71(109)52-30-31-60(98)86-52/h7-8,10-12,21-22,42,44-45,48-59H,2-3,6,9,13-20,23-41,43,76H2,1,4-5H3,(H,81,85)(H,84,100)(H,86,98)(H,87,103)(H,88,104)(H,89,106)(H,90,105)(H,91,102)(H,92,101)(H,93,107)(H,111,112)(H4,77,78,82)(H4,79,80,83)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 232 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand. |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244513
(CHEMBL4072080)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC=C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H110N20O16/c1-6-9-23-48(66(103)89-35-18-28-53(89)65(102)86-50(67(104)105)37-41-21-11-10-12-22-41)84-64(101)52-27-17-34-88(52)55(92)38-77-56(93)44(24-13-14-31-70)81-57(94)43(20-8-3)80-63(100)51(39-90)87-62(99)49(36-40(4)5)85-60(97)46(26-16-33-76-69(73)74)82-58(95)42(19-7-2)79-59(96)45(25-15-32-75-68(71)72)83-61(98)47-29-30-54(91)78-47/h7-8,10-12,21-22,40,42-53,90H,2-3,6,9,13-20,23-39,70H2,1,4-5H3,(H,77,93)(H,78,91)(H,79,96)(H,80,100)(H,81,94)(H,82,95)(H,83,98)(H,84,101)(H,85,97)(H,86,102)(H,87,99)(H,104,105)(H4,71,72,75)(H4,73,74,76)/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 274 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed as induction of RlucII-tagged beta-arrestin-2 recruitment after 30 min... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244514
(CHEMBL4075302)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)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)N(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C72H109N21O16/c1-6-9-21-47(67(105)92-33-16-25-55(92)66(104)88-51(70(108)109)36-43-19-11-10-12-20-43)85-64(102)53-24-15-32-90(53)58(96)39-80-59(97)45(18-7-2)83-62(100)50(37-44-38-77-41-81-44)86-63(101)52(40-94)89-61(99)49(35-42(4)5)87-65(103)54(23-14-30-79-72(75)76)91(31-8-3)69(107)56-26-17-34-93(56)68(106)48(22-13-29-78-71(73)74)84-60(98)46-27-28-57(95)82-46/h7-8,10-12,19-20,38,41-42,45-56,94H,2-3,6,9,13-18,21-37,39-40H2,1,4-5H3,(H,77,81)(H,80,97)(H,82,95)(H,83,100)(H,84,98)(H,85,102)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 91 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed as induction of RlucII-tagged beta-arrestin-2 recruitment after 30 min... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
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