null

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC1CCCCO1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=GNMAMXURTVIVSJ-IDJIOEGCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50066377   

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 type B (Homo sapiens (Human))	BDBM50066377 ((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]1CCC1CCCCO1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H44N2O6/c1-3-5-14-30(15-6-4-2)27(32)19-31-18-23(21-10-13-25-26(17-21)37-20-36-25)28(29(33)34)24(31)12-11-22-9-7-8-16-35-22/h10,13,17,22-24,28H,3-9,11-12,14-16,18-20H2,1-2H3,(H,33,34)/t22?,23-,24+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.78E+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
Endothelin-1 receptor (RAT)	BDBM50066377 ((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]1CCC1CCCCO1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H44N2O6/c1-3-5-14-30(15-6-4-2)27(32)19-31-18-23(21-10-13-25-26(17-21)37-20-36-25)28(29(33)34)24(31)12-11-22-9-7-8-16-35-22/h10,13,17,22-24,28H,3-9,11-12,14-16,18-20H2,1-2H3,(H,33,34)/t22?,23-,24+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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