Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50003115 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)) | BDBM50467129
(CHEMBL4278280)Show SMILES CCCCc1nc(C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H33N5O3S/c1-3-4-11-26-31-20(2)25(18-27(39)34-16-7-8-17-34)29(36)35(26)19-21-12-14-22(15-13-21)23-9-5-6-10-24(23)28-32-30(37)38-33-28/h5-6,9-10,12-15H,3-4,7-8,11,16-19H2,1-2H3,(H,32,33,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467130
(CHEMBL4291216)Show SMILES CCCCc1nc(C)c(CC(=S)N2CCCC2C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C31H35N5O3S/c1-4-5-12-27-32-21(3)26(18-28(40)35-17-8-9-20(35)2)30(37)36(27)19-22-13-15-23(16-14-22)24-10-6-7-11-25(24)29-33-31(38)39-34-29/h6-7,10-11,13-16,20H,4-5,8-9,12,17-19H2,1-3H3,(H,33,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467140
(CHEMBL4289788)Show SMILES CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C28H31N5O3S/c1-5-6-11-24-29-18(2)23(16-25(37)32(3)4)27(34)33(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-30-28(35)36-31-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,30,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467133
(CHEMBL4280574)Show SMILES CCCCc1nc(C)c(CC(=S)N2[C@H](C)CC[C@H]2C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 |r| Show InChI InChI=1S/C32H37N5O3S/c1-5-6-11-28-33-22(4)27(18-29(41)37-20(2)12-13-21(37)3)31(38)36(28)19-23-14-16-24(17-15-23)25-9-7-8-10-26(25)30-34-32(39)40-35-30/h7-10,14-17,20-21H,5-6,11-13,18-19H2,1-4H3,(H,34,35,39)/t20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467135
(CHEMBL4287379)Show SMILES CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H35N5O3S/c1-5-8-13-26-31-20(4)25(18-27(39)34(6-2)7-3)29(36)35(26)19-21-14-16-22(17-15-21)23-11-9-10-12-24(23)28-32-30(37)38-33-28/h9-12,14-17H,5-8,13,18-19H2,1-4H3,(H,32,33,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467138
(CHEMBL4282931)Show SMILES CCCCc1nc(C)c(CC(=S)N(C)CC(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C31H37N5O3S/c1-6-7-12-27-32-21(4)26(17-28(40)35(5)18-20(2)3)30(37)36(27)19-22-13-15-23(16-14-22)24-10-8-9-11-25(24)29-33-31(38)39-34-29/h8-11,13-16,20H,6-7,12,17-19H2,1-5H3,(H,33,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467131
(CHEMBL4288964)Show SMILES CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C32H37N5O3S/c1-4-5-12-27-33-29(21(2)3)26(19-28(41)36-17-8-9-18-36)31(38)37(27)20-22-13-15-23(16-14-22)24-10-6-7-11-25(24)30-34-32(39)40-35-30/h6-7,10-11,13-16,21H,4-5,8-9,12,17-20H2,1-3H3,(H,34,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50364573
(CHEMBL1951143)Show SMILES CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467139
(CHEMBL4293170)Show SMILES CCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C27H29N5O3S/c1-5-8-23-28-17(2)22(15-24(36)31(3)4)26(33)32(23)16-18-11-13-19(14-12-18)20-9-6-7-10-21(20)25-29-27(34)35-30-25/h6-7,9-14H,5,8,15-16H2,1-4H3,(H,29,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467136
(CHEMBL4284022)Show SMILES CCCCc1nc(C)c(CC(=S)N2CCOCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H33N5O4S/c1-3-4-9-26-31-20(2)25(18-27(40)34-14-16-38-17-15-34)29(36)35(26)19-21-10-12-22(13-11-21)23-7-5-6-8-24(23)28-32-30(37)39-33-28/h5-8,10-13H,3-4,9,14-19H2,1-2H3,(H,32,33,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467131
(CHEMBL4288964)Show SMILES CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C32H37N5O3S/c1-4-5-12-27-33-29(21(2)3)26(19-28(41)36-17-8-9-18-36)31(38)37(27)20-22-13-15-23(16-14-22)24-10-6-7-11-25(24)30-34-32(39)40-35-30/h6-7,10-11,13-16,21H,4-5,8-9,12,17-20H2,1-3H3,(H,34,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by beta-arrestin recruitment assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467134
(CHEMBL4284403)Show SMILES CCCCc1nc(C)c(CC(=S)N2Cc3ccccc3C2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C34H33N5O3S/c1-3-4-13-30-35-22(2)29(18-31(43)38-20-25-9-5-6-10-26(25)21-38)33(40)39(30)19-23-14-16-24(17-15-23)27-11-7-8-12-28(27)32-36-34(41)42-37-32/h5-12,14-17H,3-4,13,18-21H2,1-2H3,(H,36,37,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467137
(CHEMBL4294618)Show SMILES CCCCc1nc(C)c(CC(=S)N2CCCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C31H35N5O3S/c1-3-4-12-27-32-21(2)26(19-28(40)35-17-8-5-9-18-35)30(37)36(27)20-22-13-15-23(16-14-22)24-10-6-7-11-25(24)29-33-31(38)39-34-29/h6-7,10-11,13-16H,3-5,8-9,12,17-20H2,1-2H3,(H,33,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50467132
(CHEMBL4292297)Show SMILES [H][C@]12CCN(C(=S)Cc3c(C)nc(CCCC)n(Cc4ccc(cc4)-c4ccccc4-c4noc(=O)[nH]4)c3=O)[C@]1([H])CCCC2 |r| Show InChI InChI=1S/C34H39N5O3S/c1-3-4-13-30-35-22(2)28(20-31(43)38-19-18-25-9-5-8-12-29(25)38)33(40)39(30)21-23-14-16-24(17-15-23)26-10-6-7-11-27(26)32-36-34(41)42-37-32/h6-7,10-11,14-17,25,29H,3-5,8-9,12-13,18-21H2,1-2H3,(H,36,37,41)/t25-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50467131
(CHEMBL4288964)Show SMILES CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C32H37N5O3S/c1-4-5-12-27-33-29(21(2)3)26(19-28(41)36-17-8-9-18-36)31(38)37(27)20-22-13-15-23(16-14-22)24-10-6-7-11-25(24)30-34-32(39)40-35-30/h6-7,10-11,13-16,21H,4-5,8-9,12,17-20H2,1-3H3,(H,34,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50467131
(CHEMBL4288964)Show SMILES CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C32H37N5O3S/c1-4-5-12-27-33-29(21(2)3)26(19-28(41)36-17-8-9-18-36)31(38)37(27)20-22-13-15-23(16-14-22)24-10-6-7-11-25(24)30-34-32(39)40-35-30/h6-7,10-11,13-16,21H,4-5,8-9,12,17-20H2,1-3H3,(H,34,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma (unknown origin) |
Bioorg Med Chem Lett 28: 3155-3160 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.036
BindingDB Entry DOI: 10.7270/Q2X63QMZ |
More data for this
Ligand-Target Pair | |
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