Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50056068'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (RAT)	BDBM50056068 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(3-fluoro-ph...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C28H37FN2O4/c1-4-6-15-30(16-7-5-2)25(32)19-31-18-24(21-9-8-10-22(29)17-21)26(28(33)34)27(31)20-11-13-23(35-3)14-12-20/h8-14,17,24,26-27H,4-7,15-16,18-19H2,1-3H3,(H,33,34)/t24-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
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