BDBM230732 US9340530, 67

SMILES: C[C@H]1OC(=O)[C@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NC(=O)c1ccn(C)n1

InChI Key: InChIKey=PXMGZSZJBVAIRS-DBDBGKJZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 230732   

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))	BDBM230732 (US9340530, 67) Show SMILES C[C@H]1OC(=O)[C@]2(CC(F)(F)C(C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)C12)NC(=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C29H27F2N5O3/c1-17-22(11-10-21-9-8-20(15-33-21)23-7-5-4-6-19(23)14-32)25-18(2)39-27(38)28(25,16-29(17,30)31)34-26(37)24-12-13-36(3)35-24/h4-13,15,17-18,22,25H,16H2,1-3H3,(H,34,37)/b11-10+/t17?,18-,22+,25?,28-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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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