Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM230730'   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230730 (US9340530, 65) Show SMILES [H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@]([H])(C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)NC(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C32H26F2N4O3/c1-19-26(13-12-25-11-10-24(17-37-25)27-9-4-3-7-23(27)16-36)28-20(2)41-30(40)31(28,18-32(19,33)34)38-29(39)22-8-5-6-21(14-22)15-35/h3-14,17,19-20,26,28H,18H2,1-2H3,(H,38,39)/b13-12+/t19-,20+,26-,28-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
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