BDBM50061100 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(4-methoxy-benzenesulfonyl)-propyl-amino]-ethyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL321035

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

InChI Key: InChIKey=JVNJDJVEVXFMRX-XUEBXJBISA-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 = 50061100   

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 receptor ET-B (Sus scrofa)	BDBM50061100 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(4-methox...) Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C31H36N2O8S/c1-4-15-33(42(36,37)25-12-10-24(39-3)11-13-25)17-16-32-19-26(22-7-14-27-28(18-22)41-20-40-27)29(31(34)35)30(32)21-5-8-23(38-2)9-6-21/h5-14,18,26,29-30H,4,15-17,19-20H2,1-3H3,(H,34,35)/t26-,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.				J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50061100 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(4-methox...) Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C31H36N2O8S/c1-4-15-33(42(36,37)25-12-10-24(39-3)11-13-25)17-16-32-19-26(22-7-14-27-28(18-22)41-20-40-27)29(31(34)35)30(32)21-5-8-23(38-2)9-6-21/h5-14,18,26,29-30H,4,15-17,19-20H2,1-3H3,(H,34,35)/t26-,29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to displace endothelin ([125I]-ET-1) from endothelin A receptor derived from MMQ cells of rodent.				J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR
					More data for this Ligand-Target Pair