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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50119660   
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))
BDBM50119660
PNG
(5-Benzo[1,3]dioxol-5-yl-2-ethyl-7-(4-methoxy-pheny...)
Show SMILES CCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H23NO5/c1-3-16-7-10-18-21(15-6-11-19-20(12-15)31-13-30-19)23(25(27)28)22(24(18)26-16)14-4-8-17(29-2)9-5-14/h4-12,21-23H,3,13H2,1-2H3,(H,27,28)/t21-,22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50119660
PNG
(5-Benzo[1,3]dioxol-5-yl-2-ethyl-7-(4-methoxy-pheny...)
Show SMILES CCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H23NO5/c1-3-16-7-10-18-21(15-6-11-19-20(12-15)31-13-30-19)23(25(27)28)22(24(18)26-16)14-4-8-17(29-2)9-5-14/h4-12,21-23H,3,13H2,1-2H3,(H,27,28)/t21-,22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 87n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin B receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair