BDBM50079419 2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-((E)-3-p-tolyl-allyloxy)-propionic acid::CHEMBL321984

SMILES: Cc1ccc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=ZHXNJGISXVIIND-ZHACJKMWSA-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 = 50079419   

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))	BDBM50079419 (2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...) Show SMILES Cc1ccc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C31H30N2O4/c1-22-16-18-25(19-17-22)11-10-20-36-31(26-12-6-4-7-13-26,27-14-8-5-9-15-27)28(29(34)35)37-30-32-23(2)21-24(3)33-30/h4-19,21,28H,20H2,1-3H3,(H,34,35)/b11-10+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50079419 (2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...) Show SMILES Cc1ccc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C31H30N2O4/c1-22-16-18-25(19-17-22)11-10-20-36-31(26-12-6-4-7-13-26,27-14-8-5-9-15-27)28(29(34)35)37-30-32-23(2)21-24(3)33-30/h4-19,21,28H,20H2,1-3H3,(H,34,35)/b11-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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