BDBM50080624 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethyl-1-phenyl-propylcarbamoyl)-methyl]-2-[4-(2-methoxy-ethoxy)-phenyl]-pyrrolidine-3-carboxylic acid; TFA::CHEMBL123408

SMILES: COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=WOQBGOSNHKHPRH-DZEKFYGQSA-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 = 50080624   

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
EDNRB (Homo sapiens (Human))	BDBM50080624 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...) Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C34H40N2O7/c1-34(2,3)32(23-8-6-5-7-9-23)35-29(37)20-36-19-26(24-12-15-27-28(18-24)43-21-42-27)30(33(38)39)31(36)22-10-13-25(14-11-22)41-17-16-40-4/h5-15,18,26,30-32H,16-17,19-21H2,1-4H3,(H,35,37)(H,38,39)/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	2.20	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))	BDBM50080624 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...) Show SMILES COCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C34H40N2O7/c1-34(2,3)32(23-8-6-5-7-9-23)35-29(37)20-36-19-26(24-12-15-27-28(18-24)43-21-42-27)30(33(38)39)31(36)22-10-13-25(14-11-22)41-17-16-40-4/h5-15,18,26,30-32H,16-17,19-21H2,1-4H3,(H,35,37)(H,38,39)/t26-,30-,31+,32?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	488	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