BDBM50079439 2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-methoxy-phenyl)-ethoxy]-3,3-diphenyl-propionic acid::CHEMBL102307

SMILES: COc1ccc(CCOC(C(Oc2nc(C)cc(OC)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=PYQNCKSTTLEMCS-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 = 50079439   

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))	BDBM50079439 (2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-m...) Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(OC)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H30N2O6/c1-21-20-26(36-3)32-29(31-21)38-27(28(33)34)30(23-10-6-4-7-11-23,24-12-8-5-9-13-24)37-19-18-22-14-16-25(35-2)17-15-22/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.95	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
EDNRB (Homo sapiens (Human))	BDBM50079439 (2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-m...) Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(OC)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H30N2O6/c1-21-20-26(36-3)32-29(31-21)38-27(28(33)34)30(23-10-6-4-7-11-23,24-12-8-5-9-13-24)37-19-18-22-14-16-25(35-2)17-15-22/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23.2	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