BDBM50051000 (2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(methyl-phenyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid::CHEMBL273476

SMILES: COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=WKTZAAHUSRCDRF-WDDWZANVSA-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 = 50051000   

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
EDNRA (RAT)	BDBM50051000 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C28H28N2O6/c1-29(20-6-4-3-5-7-20)25(31)16-30-15-22(19-10-13-23-24(14-19)36-17-35-23)26(28(32)33)27(30)18-8-11-21(34-2)12-9-18/h3-14,22,26-27H,15-17H2,1-2H3,(H,32,33)/t22-,26-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against the Endothelin A receptor of rat MMQ cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Endothelin receptor ET-B (Sus scrofa)	BDBM50051000 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C28H28N2O6/c1-29(20-6-4-3-5-7-20)25(31)16-30-15-22(19-10-13-23-24(14-19)36-17-35-23)26(28(32)33)27(30)18-8-11-21(34-2)12-9-18/h3-14,22,26-27H,15-17H2,1-2H3,(H,32,33)/t22-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellum				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair