null

SMILES: CCC(CC)C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1

InChI Key: InChIKey=BSUWUKYJNUNGOM-CAMINTRRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50080616   

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))	BDBM50080616 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-1-p...) Show SMILES CCC(CC)C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1 Show InChI InChI=1S/C33H38N2O6/c1-4-21(5-2)31(22-9-7-6-8-10-22)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6-17,21,26,30-32H,4-5,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,31?,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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))	BDBM50080616 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-1-p...) Show SMILES CCC(CC)C(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1 Show InChI InChI=1S/C33H38N2O6/c1-4-21(5-2)31(22-9-7-6-8-10-22)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6-17,21,26,30-32H,4-5,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,31?,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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