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BDBM50070873 CHEMBL301577::Sodium; (Z)-2-benzo[1,2,5]thiadiazol-5-yl-4-oxo-3-(3,4,5-trimethoxy-benzyl)-4-(3,4,5-trimethoxy-phenyl)-but-2-enoate

SMILES: COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC

InChI Key: InChIKey=PDGXFSPRZBDLKL-BWAHOGKJSA-M

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50070873   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin receptor ET-B


(Sus scrofa)
BDBM50070873
PNG
(CHEMBL301577 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC
Show InChI InChI=1S/C29H28N2O9S/c1-35-21-10-15(11-22(36-2)27(21)39-5)9-18(25(29(33)34)16-7-8-19-20(12-16)31-41-30-19)26(32)17-13-23(37-3)28(40-6)24(14-17)38-4/h7-8,10-14H,9H2,1-6H3,(H,33,34)/p-1/b25-18-
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 340n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to porcine kidney (inner medulla) membranes Endothelin B receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50070873
PNG
(CHEMBL301577 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC
Show InChI InChI=1S/C29H28N2O9S/c1-35-21-10-15(11-22(36-2)27(21)39-5)9-18(25(29(33)34)16-7-8-19-20(12-16)31-41-30-19)26(32)17-13-23(37-3)28(40-6)24(14-17)38-4/h7-8,10-14H,9H2,1-6H3,(H,33,34)/p-1/b25-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair