BDBM1993 13-hydroxy-5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one::Dibenzoxazepinone 44

SMILES: CN1c2c(C)cc(C)cc2Oc2ccc(O)cc2C1=O

InChI Key: InChIKey=ITLJTFLFDKESMH-UHFFFAOYSA-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 = 1993   

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)	BDBM1993 (13-hydroxy-5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4...) Show SMILES CN1c2c(C)cc(C)cc2Oc2ccc(O)cc2C1=O Show InChI InChI=1S/C16H15NO3/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(18)8-12(13)16(19)17(15)3/h4-8,18H,1-3H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.8	22
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