BDBM2007 12-amino-10-ethyl-14-methyl-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-one::Pyridobenzoxazepinone 75

SMILES: CCN1c2c(N)cc(C)cc2Oc2ncccc2C1=O

InChI Key: InChIKey=IKITZJALQKJYEJ-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 = 2007   

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 [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2007 (12-amino-10-ethyl-14-methyl-2-oxa-4,10-diazatricyc...) Show SMILES CCN1c2c(N)cc(C)cc2Oc2ncccc2C1=O Show InChI InChI=1S/C15H15N3O2/c1-3-18-13-11(16)7-9(2)8-12(13)20-14-10(15(18)19)5-4-6-17-14/h4-8H,3,16H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	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