BDBM50080629 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(1-phenyl-pentylcarbamoyl)-methyl]-pyrrolidine-3-carboxylic acid; TFA::CHEMBL334076

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

InChI Key: InChIKey=FZJJZYJWWWMPOB-BBVCMRRWSA-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 = 50080629   

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))	BDBM50080629 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCCCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1 Show InChI InChI=1S/C32H36N2O6/c1-3-4-10-26(21-8-6-5-7-9-21)33-29(35)19-34-18-25(23-13-16-27-28(17-23)40-20-39-27)30(32(36)37)31(34)22-11-14-24(38-2)15-12-22/h5-9,11-17,25-26,30-31H,3-4,10,18-20H2,1-2H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 [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))	BDBM50080629 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCCCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1 Show InChI InChI=1S/C32H36N2O6/c1-3-4-10-26(21-8-6-5-7-9-21)33-29(35)19-34-18-25(23-13-16-27-28(17-23)40-20-39-27)30(32(36)37)31(34)22-11-14-24(38-2)15-12-22/h5-9,11-17,25-26,30-31H,3-4,10,18-20H2,1-2H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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