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BDBM50079424 (S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid::CHEMBL316735

SMILES: COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC

InChI Key: InChIKey=CLSJNXXMIVKULC-MUUNZHRXSA-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 = 50079424   
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))
BDBM50079424
PNG
((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...)
Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.15n/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))
BDBM50079424
PNG
((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...)
Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.75n/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