BDBM50080599 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL331767

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

InChI Key: InChIKey=OSRCBCUYZBTKBZ-QIDLSXJSSA-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 = 50080599   

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))	BDBM50080599 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethy...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-18(2)27(17)30-25(32)15-31-14-22(20-9-12-23-24(13-20)37-16-36-23)26(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,26-,28+/m1/s1	PDB 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 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))	BDBM50080599 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethy...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-18(2)27(17)30-25(32)15-31-14-22(20-9-12-23-24(13-20)37-16-36-23)26(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,26-,28+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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