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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50329846'   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50329846
PNG
(3-(3-Carboxybenzyl)-6-(cyclopropylmethoxy)-1-[(6-e...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CC3)ccc12
Show InChI InChI=1S/C32H29NO8/c1-2-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18-6-7-18)14-24(26)30(34)25(29(33)32(37)38)11-19-4-3-5-21(10-19)31(35)36/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,35,36)(H,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer


Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50329846
PNG
(3-(3-Carboxybenzyl)-6-(cyclopropylmethoxy)-1-[(6-e...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CC3)ccc12
Show InChI InChI=1S/C32H29NO8/c1-2-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18-6-7-18)14-24(26)30(34)25(29(33)32(37)38)11-19-4-3-5-21(10-19)31(35)36/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,35,36)(H,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 121n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay


Bioorg Med Chem Lett 27: 2281-2285 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.049
BindingDB Entry DOI: 10.7270/Q2Q52S21
More data for this
Ligand-Target Pair