Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50069565'   

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))	BDBM50069565 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration to the endothelin A receptor expressed in LtK cells				Bioorg Med Chem Lett 6: 1061-1066 (1996) Article DOI: 10.1016/0960-894X(96)00170-9 BindingDB Entry DOI: 10.7270/Q2ZK5GNC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069565 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50069565 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmet...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency of the compound at Endothelin A receptor was determined				J Med Chem 46: 3257-74 (2003) Article DOI: 10.1021/jm0300429 BindingDB Entry DOI: 10.7270/Q2W37VQ4
					More data for this Ligand-Target Pair