BDBM50079422 2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-[(E)-3-(3,4,5-trimethoxy-phenyl)-allyloxy]-propionic acid::CHEMBL275471

SMILES: COc1cc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC

InChI Key: InChIKey=MSRYVIMFULZUGC-OUKQBFOZSA-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 = 50079422   

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
EDNRB (Homo sapiens (Human))	BDBM50079422 (2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...) Show SMILES COc1cc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C33H34N2O7/c1-22-19-23(2)35-32(34-22)42-30(31(36)37)33(25-14-8-6-9-15-25,26-16-10-7-11-17-26)41-18-12-13-24-20-27(38-3)29(40-5)28(21-24)39-4/h6-17,19-21,30H,18H2,1-5H3,(H,36,37)/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50079422 (2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...) Show SMILES COc1cc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC Show InChI InChI=1S/C33H34N2O7/c1-22-19-23(2)35-32(34-22)42-30(31(36)37)33(25-14-8-6-9-15-25,26-16-10-7-11-17-26)41-18-12-13-24-20-27(38-3)29(40-5)28(21-24)39-4/h6-17,19-21,30H,18H2,1-5H3,(H,36,37)/b13-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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