Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50395651'   

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))	BDBM50395651 (CHEMBL2163715) Show SMILES CCCCS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1 Show InChI InChI=1S/C25H26BrN7O6S/c1-3-4-14-40(34,35)33-21-20(39-19-9-6-5-8-18(19)36-2)24(32-23(31-21)22-27-10-7-11-28-22)37-12-13-38-25-29-15-17(26)16-30-25/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50395651 (CHEMBL2163715) Show SMILES CCCCS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1 Show InChI InChI=1S/C25H26BrN7O6S/c1-3-4-14-40(34,35)33-21-20(39-19-9-6-5-8-18(19)36-2)24(32-23(31-21)22-27-10-7-11-28-22)37-12-13-38-25-29-15-17(26)16-30-25/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin)				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 BindingDB Entry DOI: 10.7270/Q26113SR
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50395651 (CHEMBL2163715) Show SMILES CCCCS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1 Show InChI InChI=1S/C25H26BrN7O6S/c1-3-4-14-40(34,35)33-21-20(39-19-9-6-5-8-18(19)36-2)24(32-23(31-21)22-27-10-7-11-28-22)37-12-13-38-25-29-15-17(26)16-30-25/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin)				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014 BindingDB Entry DOI: 10.7270/Q26113SR
					More data for this Ligand-Target Pair