Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50015748 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)) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589292
(CHEMBL5185653)Show SMILES CCN(c1ccccc1)c1c(O)c(C(=O)N2CCC(C2)c2ncc(F)cc2F)c(O)nc1-c1ccn(C)n1 | 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 | 0.300 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50577744
(CHEMBL4851693)Show SMILES CCCCc1[nH]c(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1-c1c(OC)cccc1OC |r,wU:14.16,(45.46,-32.95,;46.8,-33.72,;48.13,-32.95,;49.46,-33.71,;50.8,-32.94,;50.8,-31.4,;52.13,-30.63,;52.13,-29.09,;53.46,-31.4,;54.8,-30.63,;54.8,-29.09,;56.13,-31.4,;56.29,-32.92,;57.8,-33.25,;58.57,-31.91,;57.54,-30.77,;60.1,-31.75,;61,-33,;62.53,-32.84,;63.16,-31.44,;62.24,-30.19,;60.72,-30.35,;53.47,-32.93,;54.8,-33.7,;52.13,-33.7,;52.14,-35.23,;53.47,-36,;54.8,-35.22,;56.14,-35.99,;53.48,-37.55,;52.14,-38.32,;50.81,-37.55,;50.81,-36,;49.48,-35.23,;48.14,-36,)| | 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 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589276
(CHEMBL5209078)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C)c1ccccc1 |r| | 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 | 38 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589277
(CHEMBL5174935)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C)c1ccccc1OC |r| | 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 | >75 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589278
(CHEMBL5189404)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C)c1cccc(OC)c1 |r| | 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 | >75 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589279
(CHEMBL5178186)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C)c1ccc(OC)cc1 |r| | 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 | 62 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589280
(CHEMBL5207156)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(CC)c1ccccc1 |r| | 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 | 13 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589281
(CHEMBL5208554)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C(C)C)c1ccccc1 |r| | 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 | 35 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589282
(CHEMBL5208913)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N1CCCc2ccccc12 |r| | 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 | >150 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589283
(CHEMBL5172676)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N1CCc2ccccc12 |r| | 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 | 21 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589284
(CHEMBL5190325)Show SMILES CCCCc1nc(O)c(C(=O)N2CC[C@H](C2)c2ccccc2)c(O)c1N(CC)c1ccccc1 |r| | 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 | 12 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589285
(CHEMBL5197766)Show SMILES CCCCc1nc(O)c(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)c(O)c1N(CC)c1ccccc1 | 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 | 16 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589286
(CHEMBL5192333)Show SMILES CCCCc1nc(O)c(C(=O)N2CCC(C2)c2ccccc2F)c(O)c1N(CC)c1ccccc1 | 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 | 8.40 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589287
(CHEMBL5201652)Show SMILES CCCCc1nc(O)c(C(=O)N2CCC(C2)c2ccc(Cl)cn2)c(O)c1N(CC)c1ccccc1 | 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 | 0.280 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589288
(CHEMBL5180344)Show SMILES CCCCc1nc(O)c(C(=O)N2CCC(C2)c2ncc(Cl)cc2F)c(O)c1N(CC)c1ccccc1 | 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 | 0.240 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589289
(CHEMBL5173131)Show SMILES CCCCc1nc(O)c(C(=O)N2CCC(C2)c2ncc(F)cc2F)c(O)c1N(CC)c1ccccc1 | 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 | 0.240 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589290
(CHEMBL5181275)Show SMILES CCN(c1ccccc1)c1c(CC2CC2)nc(O)c(C(=O)N2CCC(C2)c2ncc(F)cc2F)c1O | 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 | 13 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50589291
(CHEMBL5174457)Show SMILES CCN(c1ccccc1)c1c(O)c(C(=O)N2CCC(C2)c2ncc(F)cc2F)c(O)nc1-c1cccc(C)c1 | 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 | 0.100 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
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 | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
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