BDBM50080596 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl-phenylcarbamoyl)-methyl]-2-[4-(2-methoxy-ethyl)-phenyl]-pyrrolidine-3-carboxylic acid::CHEMBL331066

SMILES: CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCOC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=FGUXLHMMTIYRQF-FUKIBTTHSA-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 = 50080596   

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))	BDBM50080596 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...) Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCOC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C33H38N2O6/c1-4-22-7-6-8-23(5-2)31(22)34-29(36)19-35-18-26(25-13-14-27-28(17-25)41-20-40-27)30(33(37)38)32(35)24-11-9-21(10-12-24)15-16-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Endothelin B receptor (hET -B)				J Med Chem 42: 3668-78 (1999) Article DOI: 10.1021/jm990170q BindingDB Entry DOI: 10.7270/Q24T6HK7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50080596 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...) Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCOC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C33H38N2O6/c1-4-22-7-6-8-23(5-2)31(22)34-29(36)19-35-18-26(25-13-14-27-28(17-25)41-20-40-27)30(33(37)38)32(35)24-11-9-21(10-12-24)15-16-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Endothelin A receptor (hET -A)				J Med Chem 42: 3668-78 (1999) Article DOI: 10.1021/jm990170q BindingDB Entry DOI: 10.7270/Q24T6HK7
					More data for this Ligand-Target Pair