Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50292476'   

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))	BDBM50292476 (CHEMBL453822 | nirtetralin) Show SMILES COC[C@@H]1Cc2cc3OCOc3c(OC)c2[C@@H]([C@H]1COC)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]endothelin-1 from human recombinant ETA receptor expressed in CHO cells				J Nat Prod 58: 1515-1520 (1995) Article DOI: 10.1021/np50124a006 BindingDB Entry DOI: 10.7270/Q2ST7PV5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50292476 (CHEMBL453822 | nirtetralin) Show SMILES COC[C@@H]1Cc2cc3OCOc3c(OC)c2[C@@H]([C@H]1COC)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]endothelin-1 from ETA receptor in rat A10 cells by scintillation counting				J Nat Prod 58: 1515-1520 (1995) Article DOI: 10.1021/np50124a006 BindingDB Entry DOI: 10.7270/Q2ST7PV5
					More data for this Ligand-Target Pair