BDBM50050808 2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(2-fluoro-phenyl)-3-methoxy-propionic acid::CHEMBL303501

SMILES: COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccccc2F)c2ccccc2F)n1

InChI Key: InChIKey=GDDNQACXSFFUGL-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 = 50050808   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050808 (2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(2-flu...) Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccccc2F)c2ccccc2F)n1 Show InChI InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-8-4-6-10-15(13)23)14-9-5-7-11-16(14)24/h4-12,19H,1-3H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50050808 (2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(2-flu...) Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccccc2F)c2ccccc2F)n1 Show InChI InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-8-4-6-10-15(13)23)14-9-5-7-11-16(14)24/h4-12,19H,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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