BDBM50080593 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl-4-methyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL120962

SMILES: CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=KEZZZBNAPVGBEW-ICTSCBFQSA-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 = 50080593   

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))	BDBM50080593 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...) Show SMILES CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H36N2O6/c1-5-20-13-19(3)14-21(6-2)30(20)33-28(35)17-34-16-25(23-9-12-26-27(15-23)40-18-39-26)29(32(36)37)31(34)22-7-10-24(38-4)11-8-22/h7-15,25,29,31H,5-6,16-18H2,1-4H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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
EDNRB (Homo sapiens (Human))	BDBM50080593 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...) Show SMILES CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H36N2O6/c1-5-20-13-19(3)14-21(6-2)30(20)33-28(35)17-34-16-25(23-9-12-26-27(15-23)40-18-39-26)29(32(36)37)31(34)22-7-10-24(38-4)11-8-22/h7-15,25,29,31H,5-6,16-18H2,1-4H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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