BDBM50061089 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-1-{2-[(pentane-1-sulfonyl)-propyl-amino]-ethyl}-pyrrolidine-3-carboxylic acid::CHEMBL111010

SMILES: CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc2OCCOc2c1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=VLMSIJGBYXQALB-ZPJFYFFZSA-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 = 50061089   

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)	BDBM50061089 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(2,3-dihydro-...) Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc2OCCOc2c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O8S/c1-3-5-6-16-41(35,36)32(11-4-2)13-12-31-19-23(21-7-9-25-27(17-21)40-20-39-25)28(30(33)34)29(31)22-8-10-24-26(18-22)38-15-14-37-24/h7-10,17-18,23,28-29H,3-6,11-16,19-20H2,1-2H3,(H,33,34)/t23-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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)	BDBM50061089 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(2,3-dihydro-...) Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc2OCCOc2c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O8S/c1-3-5-6-16-41(35,36)32(11-4-2)13-12-31-19-23(21-7-9-25-27(17-21)40-20-39-25)28(30(33)34)29(31)22-8-10-24-26(18-22)38-15-14-37-24/h7-10,17-18,23,28-29H,3-6,11-16,19-20H2,1-2H3,(H,33,34)/t23-,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	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