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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50079425   
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))
BDBM50079425
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-phenethyloxy-...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O4/c1-21-20-22(2)31-28(30-21)35-26(27(32)33)29(24-14-8-4-9-15-24,25-16-10-5-11-17-25)34-19-18-23-12-6-3-7-13-23/h3-17,20,26H,18-19H2,1-2H3,(H,32,33)
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Article
PubMed
25n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50079425
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-phenethyloxy-...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O4/c1-21-20-22(2)31-28(30-21)35-26(27(32)33)29(24-14-8-4-9-15-24,25-16-10-5-11-17-25)34-19-18-23-12-6-3-7-13-23/h3-17,20,26H,18-19H2,1-2H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair