BDBM2906 (3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one::4,1-Benzoxazepinone analogue 1f

SMILES: C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F

InChI Key: InChIKey=QCTDQQNLOPRRMO-VFZGTOFNSA-N

Data: 2 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 2 hits for monomerid = 2906   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2906 ((3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl...) Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r| Show InChI InChI=1S/C16H13ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Eur J Med Chem 108: 455-65 (2016) BindingDB Entry DOI: 10.7270/Q2G162NX
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2906 ((3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl...) Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r| Show InChI InChI=1S/C16H13ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	8.2	37
DuPont Pharmaceuticals Company					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.				Bioorg Med Chem Lett 11: 1389-92 (2001) Article DOI: 10.1016/s0960-894x(01)00239-6 BindingDB Entry DOI: 10.7270/Q24X560J
					More data for this Ligand-Target Pair