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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50050795   
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))		BDBM50050795
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-diphenyl-3...)
Show SMILES CCCOC(C(Oc1nc(OC)cc(OC)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c1-4-15-31-24(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21(22(27)28)32-23-25-19(29-2)16-20(26-23)30-3/h5-14,16,21H,4,15H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt

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 19n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells

J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50050795
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-diphenyl-3...)
Show SMILES CCCOC(C(Oc1nc(OC)cc(OC)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c1-4-15-31-24(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21(22(27)28)32-23-25-19(29-2)16-20(26-23)30-3/h5-14,16,21H,4,15H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from guinea pig cerebellum

J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair