Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50040009 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 |
|---|
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50117910
(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity at endothelin receptor subtype A |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50117910
(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4| Show InChI InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity at type 1 angiotensin 2 receptor |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387812
(CHEMBL2058372)Show SMILES CCCCc1nc2ccc(OC)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H32N4O4S/c1-5-6-11-29-31-26-17-16-24(37-4)18-27(26)34(29)19-22-12-14-23(15-13-22)25-9-7-8-10-28(25)39(35,36)33-30-20(2)21(3)32-38-30/h7-10,12-18,33H,5-6,11,19H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50061101
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
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MCE
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387812
(CHEMBL2058372)Show SMILES CCCCc1nc2ccc(OC)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H32N4O4S/c1-5-6-11-29-31-26-17-16-24(37-4)18-27(26)34(29)19-22-12-14-23(15-13-22)25-9-7-8-10-28(25)39(35,36)33-30-20(2)21(3)32-38-30/h7-10,12-18,33H,5-6,11,19H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387811
(CHEMBL2058371)Show SMILES CCCCc1nc2ccc(C)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H32N4O3S/c1-5-6-11-29-31-26-17-12-20(2)18-27(26)34(29)19-23-13-15-24(16-14-23)25-9-7-8-10-28(25)38(35,36)33-30-21(3)22(4)32-37-30/h7-10,12-18,33H,5-6,11,19H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387811
(CHEMBL2058371)Show SMILES CCCCc1nc2ccc(C)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H32N4O3S/c1-5-6-11-29-31-26-17-12-20(2)18-27(26)34(29)19-23-13-15-24(16-14-23)25-9-7-8-10-28(25)38(35,36)33-30-21(3)22(4)32-37-30/h7-10,12-18,33H,5-6,11,19H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387805
(CHEMBL2058373)Show SMILES CCCCc1nc2ccc(Cl)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H29ClN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387805
(CHEMBL2058373)Show SMILES CCCCc1nc2ccc(Cl)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H29ClN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387813
(CHEMBL2058374)Show SMILES CCCCc1nc2ccc(Br)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H29BrN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387810
(CHEMBL2058370)Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H30N4O3S/c1-4-5-14-28-30-25-11-7-8-12-26(25)33(28)19-22-15-17-23(18-16-22)24-10-6-9-13-27(24)37(34,35)32-29-20(2)21(3)31-36-29/h6-13,15-18,32H,4-5,14,19H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387810
(CHEMBL2058370)Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H30N4O3S/c1-4-5-14-28-30-25-11-7-8-12-26(25)33(28)19-22-15-17-23(18-16-22)24-10-6-9-13-27(24)37(34,35)32-29-20(2)21(3)31-36-29/h6-13,15-18,32H,4-5,14,19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387813
(CHEMBL2058374)Show SMILES CCCCc1nc2ccc(Br)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H29BrN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387815
(CHEMBL2058376)Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)C(F)(F)F Show InChI InChI=1S/C30H29F3N4O3S/c1-4-5-10-28-34-25-16-15-23(30(31,32)33)17-26(25)37(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)41(38,39)36-29-19(2)20(3)35-40-29/h6-9,11-17,36H,4-5,10,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387814
(CHEMBL2058375)Show SMILES CCCCc1nc2ccc(F)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H29FN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387814
(CHEMBL2058375)Show SMILES CCCCc1nc2ccc(F)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C29H29FN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387816
(CHEMBL2058377)Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)[N+]([O-])=O Show InChI InChI=1S/C29H29N5O5S/c1-4-5-10-28-30-25-16-15-23(34(35)36)17-26(25)33(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)40(37,38)32-29-19(2)20(3)31-39-29/h6-9,11-17,32H,4-5,10,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387815
(CHEMBL2058376)Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)C(F)(F)F Show InChI InChI=1S/C30H29F3N4O3S/c1-4-5-10-28-34-25-16-15-23(30(31,32)33)17-26(25)37(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)41(38,39)36-29-19(2)20(3)35-40-29/h6-9,11-17,36H,4-5,10,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387816
(CHEMBL2058377)Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)[N+]([O-])=O Show InChI InChI=1S/C29H29N5O5S/c1-4-5-10-28-30-25-16-15-23(34(35)36)17-26(25)33(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)40(37,38)32-29-19(2)20(3)31-39-29/h6-9,11-17,32H,4-5,10,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50117909
(CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at type 1 angiotensin 2 receptor |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387809
(CHEMBL2058369)Show SMILES CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H28N4O3S/c1-4-9-27-29-24-11-6-7-12-25(24)32(27)18-21-14-16-22(17-15-21)23-10-5-8-13-26(23)36(33,34)31-28-19(2)20(3)30-35-28/h5-8,10-17,31H,4,9,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387809
(CHEMBL2058369)Show SMILES CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C28H28N4O3S/c1-4-9-27-29-24-11-6-7-12-25(24)32(27)18-21-14-16-22(17-15-21)23-10-5-8-13-26(23)36(33,34)31-28-19(2)20(3)30-35-28/h5-8,10-17,31H,4,9,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50117909
(CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at endothelin receptor subtype A |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387808
(CHEMBL2058368)Show SMILES CCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C27H26N4O3S/c1-4-26-28-23-10-6-7-11-24(23)31(26)17-20-13-15-21(16-14-20)22-9-5-8-12-25(22)35(32,33)30-27-18(2)19(3)29-34-27/h5-16,30H,4,17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387808
(CHEMBL2058368)Show SMILES CCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C27H26N4O3S/c1-4-26-28-23-10-6-7-11-24(23)31(26)17-20-13-15-21(16-14-20)22-9-5-8-12-25(22)35(32,33)30-27-18(2)19(3)29-34-27/h5-16,30H,4,17H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387807
(CHEMBL2058367)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(C)nc4ccccc34)cc2)c1C Show InChI InChI=1S/C26H24N4O3S/c1-17-18(2)28-33-26(17)29-34(31,32)25-11-7-4-8-22(25)21-14-12-20(13-15-21)16-30-19(3)27-23-9-5-6-10-24(23)30/h4-15,29H,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387807
(CHEMBL2058367)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(C)nc4ccccc34)cc2)c1C Show InChI InChI=1S/C26H24N4O3S/c1-17-18(2)28-33-26(17)29-34(31,32)25-11-7-4-8-22(25)21-14-12-20(13-15-21)16-30-19(3)27-23-9-5-6-10-24(23)30/h4-15,29H,16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | BDBM50387806
(CHEMBL2058366)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3cnc4ccccc34)cc2)c1C Show InChI InChI=1S/C25H22N4O3S/c1-17-18(2)27-32-25(17)28-33(30,31)24-10-6-3-7-21(24)20-13-11-19(12-14-20)15-29-16-26-22-8-4-5-9-23(22)29/h3-14,16,28H,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Bos taurus) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50387806
(CHEMBL2058366)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3cnc4ccccc34)cc2)c1C Show InChI InChI=1S/C25H22N4O3S/c1-17-18(2)27-32-25(17)28-33(30,31)24-10-6-3-7-21(24)20-13-11-19(12-14-20)15-29-16-26-22-8-4-5-9-23(22)29/h3-14,16,28H,15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells |
Bioorg Med Chem 20: 4661-7 (2012)
Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6 |
More data for this
Ligand-Target Pair | |
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