BDBM50066399 (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(2-[1,3]dioxolan-2-yl-ethyl)-pyrrolidine-3-carboxylic acid::CHEMBL323989

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC1OCCO1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=ZUISPZKCFZDABE-YZIHRLCOSA-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 = 50066399   

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))	BDBM50066399 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC1OCCO1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H40N2O7/c1-3-5-11-28(12-6-4-2)24(30)17-29-16-20(19-7-9-22-23(15-19)36-18-35-22)26(27(31)32)21(29)8-10-25-33-13-14-34-25/h7,9,15,20-21,25-26H,3-6,8,10-14,16-18H2,1-2H3,(H,31,32)/t20-,21+,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for endothelin B receptor by measuring its ability to displace [125I]-ET-3 from porcine cerebellar tissue				J Med Chem 41: 3261-75 (1998) Article DOI: 10.1021/jm980217s BindingDB Entry DOI: 10.7270/Q20Z72D4
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50066399 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC1OCCO1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H40N2O7/c1-3-5-11-28(12-6-4-2)24(30)17-29-16-20(19-7-9-22-23(15-19)36-18-35-22)26(27(31)32)21(29)8-10-25-33-13-14-34-25/h7,9,15,20-21,25-26H,3-6,8,10-14,16-18H2,1-2H3,(H,31,32)/t20-,21+,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for endothelin A receptor by measuring its ability to displace [125I]-ET-1 from prolactin secreting rat pituitary cells(MMQ)				J Med Chem 41: 3261-75 (1998) Article DOI: 10.1021/jm980217s BindingDB Entry DOI: 10.7270/Q20Z72D4
					More data for this Ligand-Target Pair