BDBM2010 10,14-dimethyl-12-nitro-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-one::Pyridobenzoxazepinone 78

SMILES: CN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O

InChI Key: InChIKey=KYDALGOIRAPGOG-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 = 2010   

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)	BDBM2010 (10,14-dimethyl-12-nitro-2-oxa-4,10-diazatricyclo[9...) Show SMILES CN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O Show InChI InChI=1S/C14H11N3O4/c1-8-6-10(17(19)20)12-11(7-8)21-13-9(4-3-5-15-13)14(18)16(12)2/h3-7H,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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
					More data for this Ligand-Target Pair