Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM230704'   

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))	BDBM230704 (US9340530, 39) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NCc1nccs1 |r| Show InChI InChI=1S/C28H26F2N4O2S/c1-17-22(10-9-21-8-7-20(14-33-21)23-6-4-3-5-19(23)13-31)25-18(2)36-26(35)27(25,16-28(17,29)30)34-15-24-32-11-12-37-24/h3-12,14,17-18,22,25,34H,15-16H2,1-2H3/b10-9+/t17?,18-,22+,25?,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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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