Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM168492'   

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))	BDBM168492 (US9675593, 54) Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ncn(Cc3ccccc3)c12 Show InChI InChI=1S/C26H17F4N3O2/c27-19-8-6-18(7-9-19)22-15-33(20-10-12-21(13-11-20)35-26(28,29)30)25(34)23-24(22)32(16-31-23)14-17-4-2-1-3-5-17/h1-13,15-16H,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+5	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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