Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM173092'   

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))	BDBM173092 (US9675593, 706) Show SMILES CCOc1ccc(CNc2cc(=O)n(cc2-c2cnn(C)c2)-c2ccc(OCC)cc2C)c(C)c1 Show InChI InChI=1S/C28H32N4O3/c1-6-34-23-9-8-21(19(3)12-23)15-29-26-14-28(33)32(18-25(26)22-16-30-31(5)17-22)27-11-10-24(35-7-2)13-20(27)4/h8-14,16-18,29H,6-7,15H2,1-5H3	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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