BDBM50050994 (2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[2-(propane-1-sulfonyl)-ethyl]-pyrrolidine-3-carboxylic acid::CHEMBL8911

SMILES: CCCS(=O)(=O)CCN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=IHWDRRSOESYZGS-AJSBUHFISA-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 = 50050994   

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)	BDBM50050994 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCCS(=O)(=O)CCN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H29NO7S/c1-3-11-33(28,29)12-10-25-14-19(17-6-9-20-21(13-17)32-15-31-20)22(24(26)27)23(25)16-4-7-18(30-2)8-5-16/h4-9,13,19,22-23H,3,10-12,14-15H2,1-2H3,(H,26,27)/t19-,22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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)	BDBM50050994 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCCS(=O)(=O)CCN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H29NO7S/c1-3-11-33(28,29)12-10-25-14-19(17-6-9-20-21(13-17)32-15-31-20)22(24(26)27)23(25)16-4-7-18(30-2)8-5-16/h4-9,13,19,22-23H,3,10-12,14-15H2,1-2H3,(H,26,27)/t19-,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	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