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BDBM50050797 2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(4-fluoro-phenyl)-3-methoxy-propionic acid::CHEMBL304721

SMILES: COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1

InChI Key: InChIKey=FTHTWZGSLVJZJB-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050797   
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))
BDBM50050797
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(4-flu...)
Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1
Show InChI InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-4-8-15(23)9-5-13)14-6-10-16(24)11-7-14/h4-12,19H,1-3H3,(H,27,28)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
33n/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
EDNRB


(Homo sapiens (Human))
BDBM50050797
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(4-flu...)
Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1
Show InChI InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-4-8-15(23)9-5-13)14-6-10-16(24)11-7-14/h4-12,19H,1-3H3,(H,27,28)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
970n/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