Found 16 hits of Enzyme Inhibition Constant Data 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 |
|---|
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389547
(CHEMBL2063984)Show SMILES CCCCc1cnc(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H22N6O2/c1-2-3-6-17-13-23-21(22(29)30)28(17)14-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-24-26-27-25-20/h4-5,7-13H,2-3,6,14H2,1H3,(H,29,30)(H,24,25,26,27) | PDB
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PubMed
| n/a | n/a | 3.47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389547
(CHEMBL2063984)Show SMILES CCCCc1cnc(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H22N6O2/c1-2-3-6-17-13-23-21(22(29)30)28(17)14-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-24-26-27-25-20/h4-5,7-13H,2-3,6,14H2,1H3,(H,29,30)(H,24,25,26,27) | PDB
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PubMed
| n/a | n/a | 3.47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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PubMed
| n/a | n/a | 5.62 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389544
(CHEMBL2063983)Show SMILES CCCCc1cnc(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H22N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,24,25,26,27) | PDB
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PubMed
| n/a | n/a | 24.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389544
(CHEMBL2063983)Show SMILES CCCCc1cnc(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H22N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,24,25,26,27) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389541
(CHEMBL2063979)Show SMILES CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H24N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,29H,2-3,6,14-15H2,1H3,(H,24,25,26,27) | PDB
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PC sid
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389541
(CHEMBL2063979)Show SMILES CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H24N6O/c1-2-3-6-18-13-23-21(15-29)28(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22-24-26-27-25-22/h4-5,7-13,29H,2-3,6,14-15H2,1H3,(H,24,25,26,27) | PDB
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UniChem
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PubMed
| n/a | n/a | 30.2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389542
(CHEMBL2063981)Show SMILES CCCCc1c(Br)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23BrN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389542
(CHEMBL2063981)Show SMILES CCCCc1c(Br)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23BrN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389545
(CHEMBL2063985)Show InChI InChI=1S/C22H24N2O3/c1-2-3-6-18-13-23-21(15-25)24(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22(26)27/h4-5,7-13,25H,2-3,6,14-15H2,1H3,(H,26,27) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389545
(CHEMBL2063985)Show InChI InChI=1S/C22H24N2O3/c1-2-3-6-18-13-23-21(15-25)24(18)14-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22(26)27/h4-5,7-13,25H,2-3,6,14-15H2,1H3,(H,26,27) | PDB
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PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389543
(CHEMBL2063982)Show SMILES CCCCc1c(I)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23IN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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UniChem
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PubMed
| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389543
(CHEMBL2063982)Show SMILES CCCCc1c(I)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23IN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389546
(CHEMBL2063980)Show SMILES CCCCc1c(Cl)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50389546
(CHEMBL2063980)Show SMILES CCCCc1c(Cl)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-19-21(23)24-20(14-30)29(19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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| n/a | n/a | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting |
Eur J Med Chem 55: 358-74 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.040
BindingDB Entry DOI: 10.7270/Q23B617T |
More data for this
Ligand-Target Pair | |
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