BDBM50080587 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-isopropyl-6-methyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL435185

SMILES: COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=FFXSFOBUYYTLRH-MLWJCNIFSA-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 = 50080587   

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))	BDBM50080587 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-isopropyl...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C31H34N2O6/c1-18(2)23-7-5-6-19(3)29(23)32-27(34)16-33-15-24(21-10-13-25-26(14-21)39-17-38-25)28(31(35)36)30(33)20-8-11-22(37-4)12-9-20/h5-14,18,24,28,30H,15-17H2,1-4H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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))	BDBM50080587 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-isopropyl...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C31H34N2O6/c1-18(2)23-7-5-6-19(3)29(23)32-27(34)16-33-15-24(21-10-13-25-26(14-21)39-17-38-25)28(31(35)36)30(33)20-8-11-22(37-4)12-9-20/h5-14,18,24,28,30H,15-17H2,1-4H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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