BDBM22680 Bicyclic pyrimidinone, 13c::N-[(4-fluorophenyl)methyl]-3-hydroxy-10-(N-methylacetamido)-4-oxo-4H,6H,7H,8H,9H,10H-pyrimido[1,2-a]azepine-2-carboxamide

SMILES: CN(C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(C)=O

InChI Key: InChIKey=OBYWGZQWZRSRQU-UHFFFAOYSA-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 = 22680   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22680 (Bicyclic pyrimidinone, 13c | N-[(4-fluorophenyl)me...) Show SMILES CN(C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(C)=O Show InChI InChI=1S/C20H23FN4O4/c1-12(26)24(2)15-5-3-4-10-25-18(15)23-16(17(27)20(25)29)19(28)22-11-13-6-8-14(21)9-7-13/h6-9,15,27H,3-5,10-11H2,1-2H3,(H,22,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair