Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50286791'   

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 (Homo sapiens (Human))	BDBM50286791 (4-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCC(O)=O Show InChI InChI=1S/C29H43N5O5/c1-20(2)17-23(32-29(39)34-15-8-4-5-9-16-34)28(38)31-24(27(37)30-14-10-13-26(35)36)18-21-19-33(3)25-12-7-6-11-22(21)25/h6-7,11-12,19-20,23-24H,4-5,8-10,13-18H2,1-3H3,(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.				Bioorg Med Chem Lett 5: 917-922 (1995) Article DOI: 10.1016/0960-894X(95)00144-I BindingDB Entry DOI: 10.7270/Q28S4PWG
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