BDBM230671 US9340530, 9

SMILES: C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3OC(F)(F)F)C12

InChI Key: InChIKey=JHTJRWPPDNOFOU-TTYOETTESA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 230671   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM230671 (US9340530, 9) Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3OC(F)(F)F)C12 |r| Show InChI InChI=1S/C24H22F5NO4/c1-13-17(20-14(2)33-21(31)22(20,32)12-23(13,25)26)10-9-16-8-7-15(11-30-16)18-5-3-4-6-19(18)34-24(27,28)29/h3-11,13-14,17,20,32H,12H2,1-2H3/b10-9+/t13-,14+,17-,20?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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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