Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM172591'   

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))	BDBM172591 (US9675593, 669) Show SMILES CCn1cnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1 Show InChI InChI=1S/C18H14F3N5O2/c1-2-25-10-22-15-14(11-7-23-24-8-11)9-26(17(27)16(15)25)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,2H2,1H3,(H,23,24)	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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