Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50290050'   

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))	BDBM50290050 (CHEMBL70385 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C29H31N7O8S/c1-20-10-11-24(31-19-20)45(38,39)35-26-25(44-22-8-4-3-7-21(22)40-2)27(34-28(33-26)36-13-15-41-16-14-36)42-17-18-43-29(37)32-23-9-5-6-12-30-23/h3-12,19H,13-18H2,1-2H3,(H,30,32,37)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 7: 2223-2228 (1997) Article DOI: 10.1016/S0960-894X(97)00400-9 BindingDB Entry DOI: 10.7270/Q2WQ049M
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50290050 (CHEMBL70385 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C29H31N7O8S/c1-20-10-11-24(31-19-20)45(38,39)35-26-25(44-22-8-4-3-7-21(22)40-2)27(34-28(33-26)36-13-15-41-16-14-36)42-17-18-43-29(37)32-23-9-5-6-12-30-23/h3-12,19H,13-18H2,1-2H3,(H,30,32,37)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	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 human placenta cell membrane ETA receptor expressed in Baculovirus-infected insect 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 (Homo sapiens (Human))	BDBM50290050 (CHEMBL70385 | Pyridin-2-yl-carbamic acid 2-[5-(2-m...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C29H31N7O8S/c1-20-10-11-24(31-19-20)45(38,39)35-26-25(44-22-8-4-3-7-21(22)40-2)27(34-28(33-26)36-13-15-41-16-14-36)42-17-18-43-29(37)32-23-9-5-6-12-30-23/h3-12,19H,13-18H2,1-2H3,(H,30,32,37)(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	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 human placenta cell membrane ETA receptor expressed in Baculovirus-infected insect 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