Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM172317'   

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 (Homo sapiens (Human))	BDBM172317 (US9675593, 391) Show SMILES Cc1c(cnn1C)-c1ccc(=O)n(c1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H14F3N3O2/c1-11-15(9-21-22(11)2)12-3-8-16(24)23(10-12)13-4-6-14(7-5-13)25-17(18,19)20/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<5.00E+4	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...				US Patent US9675593 (2017) BindingDB Entry DOI: 10.7270/Q2319T24
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