BDBM50080615 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-{[(phenyl-o-tolyl-methyl)-carbamoyl]-methyl}-pyrrolidine-3-carboxylic acid; TFA::CHEMBL432227

SMILES: COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=WYLRXEBBERTKHN-FQUYOTINSA-N

Data: 2 IC50

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 = 50080615   

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))	BDBM50080615 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C35H34N2O6/c1-22-8-6-7-11-27(22)33(23-9-4-3-5-10-23)36-31(38)20-37-19-28(25-14-17-29-30(18-25)43-21-42-29)32(35(39)40)34(37)24-12-15-26(41-2)16-13-24/h3-18,28,32-34H,19-21H2,1-2H3,(H,36,38)(H,39,40)/t28-,32-,33?,34+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.5	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
EDNRB (Homo sapiens (Human))	BDBM50080615 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)c1ccccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C35H34N2O6/c1-22-8-6-7-11-27(22)33(23-9-4-3-5-10-23)36-31(38)20-37-19-28(25-14-17-29-30(18-25)43-21-42-29)32(35(39)40)34(37)24-12-15-26(41-2)16-13-24/h3-18,28,32-34H,19-21H2,1-2H3,(H,36,38)(H,39,40)/t28-,32-,33?,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	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