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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Type-2 angiotensin II receptor' and Ligand = 'BDBM50030814'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50030814
PNG
(CHEMBL2086892)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-11-30-23(27)25-32(28,29)22-21(14-20(31-22)12-17(2)3)19-8-6-7-18(13-19)15-26-10-9-24-16-26/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
18n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50030814
PNG
(CHEMBL2086892)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-11-30-23(27)25-32(28,29)22-21(14-20(31-22)12-17(2)3)19-8-6-7-18(13-19)15-26-10-9-24-16-26/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50030814
PNG
(CHEMBL2086892)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-11-30-23(27)25-32(28,29)22-21(14-20(31-22)12-17(2)3)19-8-6-7-18(13-19)15-26-10-9-24-16-26/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I][Sar1,Ile8]-angiotensin-2 from human recombinant AT2 receptor expressed in HEK293 cell membranes after 240 mins by scintillatio...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.11.042
BindingDB Entry DOI: 10.7270/Q2WS8WT5
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50030814
PNG
(CHEMBL2086892)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-11-30-23(27)25-32(28,29)22-21(14-20(31-22)12-17(2)3)19-8-6-7-18(13-19)15-26-10-9-24-16-26/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]Sar-Ile-angiotensin 2 from human AT2 receptor expressed in HEK293 cells incubated for 240 mins by radiometric scintillation ana...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115859
BindingDB Entry DOI: 10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair