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BDBM50089727 2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromethyl-2H-pyrazol-3-ol::CHEMBL29956::CHEMBL3144602

SMILES: FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1

InChI Key: InChIKey=GSYUSCVEJUNUJA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089727   
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
EDNRB


(RAT)
BDBM50089727
PNG
(2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 1351-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00232-8
BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50089727
PNG
(2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay


Bioorg Med Chem Lett 10: 1351-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00232-8
BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair