BDBM2005 10-ethyl-12,14-dimethyl-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-9-thione::Pyridobenzoxazepinone 73

SMILES: CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=S

InChI Key: InChIKey=FPMFGCKVSAMYOU-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 = 2005   

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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2005 (10-ethyl-12,14-dimethyl-2-oxa-4,10-diazatricyclo[9...) Show SMILES CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=S Show InChI InChI=1S/C16H16N2OS/c1-4-18-14-11(3)8-10(2)9-13(14)19-15-12(16(18)20)6-5-7-17-15/h5-9H,4H2,1-3H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 35: 1887-97 (1992) Article DOI: 10.1021/jm00088a027 BindingDB Entry DOI: 10.7270/Q2ST7N0J
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