BDBM50050809 2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-(4-isopropyl-phenoxy)-3-phenyl-butyric acid methyl ester::CHEMBL67325

SMILES: COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(Oc1ccc(cc1)C(C)C)c1ccccc1

InChI Key: InChIKey=GJGNTDZVUULBFL-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 = 50050809   

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))	BDBM50050809 (2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-(4-isopropyl...) Show SMILES COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(Oc1ccc(cc1)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H30N2O6/c1-17(2)18-12-14-20(15-13-18)34-26(3,19-10-8-7-9-11-19)23(24(29)32-6)33-25-27-21(30-4)16-22(28-25)31-5/h7-17,23H,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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))	BDBM50050809 (2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-(4-isopropyl...) Show SMILES COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(Oc1ccc(cc1)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H30N2O6/c1-17(2)18-12-14-20(15-13-18)34-26(3,19-10-8-7-9-11-19)23(24(29)32-6)33-25-27-21(30-4)16-22(28-25)31-5/h7-17,23H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 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