BindingDB PrimarySearch

BDBM50066397 (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(2,2,4-trimethyl-pent-3-enyl)-pyrrolidine-3-carboxylic acid::CHEMBL324586

SMILES: [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6]-[#7]-1-[#6]-[#6@@H](-[#6@H](-[#6@@H]-1-[#6]C([#6])([#6])\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-c1ccc2-[#8]-[#6]-[#8]-c2c1

InChI Key: InChIKey=DLYRZDMZAVNVKX-FMGHJNRGSA-N

Data: 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50066397
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
EDNRB (Homo sapiens (Human))	BDBM50066397 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+4	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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50066397 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair