Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50029452 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)) | BDBM50284642
(CHEMBL283495 | N-{3-[2'-(1-Methyl-1H-tetrazol-5-yl...)Show SMILES Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2cccnc2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C36H28N8O2/c1-42-34(39-40-41-42)31-12-6-5-11-30(31)27-15-13-25(14-16-27)22-43-24-38-33-18-17-29(20-32(33)36(43)46)44(23-26-8-7-19-37-21-26)35(45)28-9-3-2-4-10-28/h2-21,24H,22-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284663
(CHEMBL282168 | N-Butyl-4-hydroxy-N-{3-[2'-(1-methy...)Show SMILES CCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1 Show InChI InChI=1S/C34H31N7O3/c1-3-4-19-41(33(43)25-13-16-27(42)17-14-25)26-15-18-31-30(20-26)34(44)40(22-35-31)21-23-9-11-24(12-10-23)28-7-5-6-8-29(28)32-36-37-38-39(32)2/h5-18,20,22,42H,3-4,19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284654
(CHEMBL29725 | N-{3-[2'-(1-Methyl-1H-tetrazol-5-yl)...)Show SMILES Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccncc2)cc1 Show InChI InChI=1S/C35H27N9O2/c1-42-33(39-40-41-42)30-8-3-2-7-29(30)25-11-9-24(10-12-25)21-43-23-38-32-14-13-28(20-31(32)35(43)46)44(22-27-6-4-5-17-37-27)34(45)26-15-18-36-19-16-26/h2-20,23H,21-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284649
(4-Hydroxy-N-{3-[2'-(1-methyl-1H-tetrazol-5-yl)-bip...)Show SMILES CCCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1 Show InChI InChI=1S/C35H33N7O3/c1-3-4-7-20-42(34(44)26-14-17-28(43)18-15-26)27-16-19-32-31(21-27)35(45)41(23-36-32)22-24-10-12-25(13-11-24)29-8-5-6-9-30(29)33-37-38-39-40(33)2/h5-6,8-19,21,23,43H,3-4,7,20,22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284661
(CHEMBL30086 | N-{3-[2'-(1-Methyl-1H-tetrazol-5-yl)...)Show SMILES Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C36H28N8O2/c1-42-34(39-40-41-42)31-13-6-5-12-30(31)26-16-14-25(15-17-26)22-43-24-38-33-19-18-29(21-32(33)36(43)46)44(23-28-11-7-8-20-37-28)35(45)27-9-3-2-4-10-27/h2-21,24H,22-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284655
(CHEMBL30015 | N-(4-Hydroxy-benzyl)-N-{3-[2'-(1-met...)Show SMILES Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccc(O)cc2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C37H29N7O3/c1-42-35(39-40-41-42)32-10-6-5-9-31(32)27-15-11-25(12-16-27)22-43-24-38-34-20-17-29(21-33(34)37(43)47)44(23-26-13-18-30(45)19-14-26)36(46)28-7-3-2-4-8-28/h2-21,24,45H,22-23H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284641
(4-[(Benzoyl-{3-[2'-(1-methyl-1H-tetrazol-5-yl)-bip...)Show SMILES COC(=O)c1ccc(CN(C(=O)c2ccccc2)c2ccc3ncn(Cc4ccc(cc4)-c4ccccc4-c4nnnn4C)c(=O)c3c2)cc1 Show InChI InChI=1S/C39H31N7O4/c1-44-36(41-42-43-44)33-11-7-6-10-32(33)28-16-12-26(13-17-28)23-45-25-40-35-21-20-31(22-34(35)38(45)48)46(37(47)29-8-4-3-5-9-29)24-27-14-18-30(19-15-27)39(49)50-2/h3-22,25H,23-24H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50284662
(CHEMBL281890 | DiSodium salt; Phosphoric acid mono...)Show SMILES CCCCN(C(=O)c1ccc(OP([O-])([O-])=O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1 Show InChI InChI=1S/C34H32N7O6P/c1-3-4-19-41(33(42)25-13-16-27(17-14-25)47-48(44,45)46)26-15-18-31-30(20-26)34(43)40(22-35-31)21-23-9-11-24(12-10-23)28-7-5-6-8-29(28)32-36-37-38-39(32)2/h5-18,20,22H,3-4,19,21H2,1-2H3,(H2,44,45,46)/p-2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 receptor in human adrenal tissue |
Bioorg Med Chem Lett 5: 1359-1364 (1995)
Article DOI: 10.1016/0960-894X(95)00224-H
BindingDB Entry DOI: 10.7270/Q2086589 |
More data for this
Ligand-Target Pair | |
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