Found 5 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50506018' 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
(Rattus norvegicus) | BDBM50506018
(CHEMBL4435973)Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HT... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50506018
(CHEMBL4435973)Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1 | 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 | 0.0930 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50506018
(CHEMBL4435973)Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1 | 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 | 22 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Rattus norvegicus) | BDBM50506018
(CHEMBL4435973)Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HT... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50506018
(CHEMBL4435973)Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1 | 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 | 22 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
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