BDBM50080600 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethoxy-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL122832

SMILES: COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(OC)cccc1OC)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=BKGYGEADRLJUHK-LVPRMVSMSA-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 = 50080600   

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))	BDBM50080600 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimetho...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(OC)cccc1OC)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H30N2O8/c1-35-19-10-7-17(8-11-19)28-26(29(33)34)20(18-9-12-21-24(13-18)39-16-38-21)14-31(28)15-25(32)30-27-22(36-2)5-4-6-23(27)37-3/h4-13,20,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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))	BDBM50080600 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimetho...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(OC)cccc1OC)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H30N2O8/c1-35-19-10-7-17(8-11-19)28-26(29(33)34)20(18-9-12-21-24(13-18)39-16-38-21)14-31(28)15-25(32)30-27-22(36-2)5-4-6-23(27)37-3/h4-13,20,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t20-,26-,28+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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