null

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

InChI Key: InChIKey=FBEOFKAHZVXIHK-QSEAXJEQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50066381   

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-1 receptor (RAT)	BDBM50066381 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-cyclopropy...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6]-[#7]-1-[#6]-[#6@@H](-[#6@H](-[#6@@H]-1-[#6]-[#6]\[#6]=[#6]-1/[#6]-[#6]-1)-[#6](-[#8])=O)-c1ccc2-[#8]-[#6]-[#8]-c2c1 Show InChI InChI=1S/C28H40N2O5/c1-3-5-14-29(15-6-4-2)26(31)18-30-17-22(21-12-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)9-7-8-20-10-11-20/h8,12-13,16,22-23,27H,3-7,9-11,14-15,17-19H2,1-2H3,(H,32,33)/t22-,23+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	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
Endothelin receptor type B (Homo sapiens (Human))	BDBM50066381 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-cyclopropy...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6]-[#7]-1-[#6]-[#6@@H](-[#6@H](-[#6@@H]-1-[#6]-[#6]\[#6]=[#6]-1/[#6]-[#6]-1)-[#6](-[#8])=O)-c1ccc2-[#8]-[#6]-[#8]-c2c1 Show InChI InChI=1S/C28H40N2O5/c1-3-5-14-29(15-6-4-2)26(31)18-30-17-22(21-12-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)9-7-8-20-10-11-20/h8,12-13,16,22-23,27H,3-7,9-11,14-15,17-19H2,1-2H3,(H,32,33)/t22-,23+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
					More data for this Ligand-Target Pair