null

SMILES: COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=MAYFJXPGRYHMPF-WSQCMGDHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50080614   

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 receptor type B (Homo sapiens (Human))	BDBM50080614 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...) Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor				J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50080614 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...) Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor				J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50080614 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(di-o-tolylm...) Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1C)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor				J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT
					More data for this Ligand-Target Pair