Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50071425'   

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))	BDBM50071425 (CHEMBL311854 | N-[(R)-1-[(S)-1-(Butane-1-sulfonyla...) Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Compound was tested for the binding affinity against Endothelin A receptor				Bioorg Med Chem Lett 8: 2247-52 (1999) BindingDB Entry DOI: 10.7270/Q26M3609
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50071425 (CHEMBL311854 | N-[(R)-1-[(S)-1-(Butane-1-sulfonyla...) Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair