Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50532607'   

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)	BDBM50532607 (CHEMBL4538570) Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2cc3ccccc3s2)nc1 Show InChI InChI=1S/C29H29N5O4S3/c1-29(2,3)20-9-11-22(12-10-20)41(35,36)34-26-25(24-15-19-7-5-6-8-23(19)40-24)27(33-18-32-26)37-13-14-38-28-30-16-21(39-4)17-31-28/h5-12,15-18H,13-14H2,1-4H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of 125I-ET1 from ETA receptor in rat A7R5 cells				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 (RAT)	BDBM50532607 (CHEMBL4538570) Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2cc3ccccc3s2)nc1 Show InChI InChI=1S/C29H29N5O4S3/c1-29(2,3)20-9-11-22(12-10-20)41(35,36)34-26-25(24-15-19-7-5-6-8-23(19)40-24)27(33-18-32-26)37-13-14-38-28-30-16-21(39-4)17-31-28/h5-12,15-18H,13-14H2,1-4H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of 125I-ET1 from ETA receptor in rat A7R5 cells				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