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BDBM50079429 3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid::CHEMBL319031

SMILES: COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1

InChI Key: InChIKey=OOUHAJURRQCGRG-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50079429   
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-1 receptor


(Homo sapiens (Human))
BDBM50079429
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C31H32N2O7/c1-21-19-27(38-4)33-30(32-21)40-28(29(34)35)31(23-11-7-5-8-12-23,24-13-9-6-10-14-24)39-18-17-22-15-16-25(36-2)26(20-22)37-3/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.37n/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
EDNRB


(Homo sapiens (Human))
BDBM50079429
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C31H32N2O7/c1-21-19-27(38-4)33-30(32-21)40-28(29(34)35)31(23-11-7-5-8-12-23,24-13-9-6-10-14-24)39-18-17-22-15-16-25(36-2)26(20-22)37-3/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
14.7n/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