BDBM2955 GW420867X::HBY1293::propan-2-yl (2S)-2-ethyl-7-fluoro-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxylate

SMILES: CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O

InChI Key: InChIKey=KELNNWMENBUHNS-NSHDSACASA-N

Data: 2 IC50

PDB links: 4 PDB IDs match this monomer. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 2955   

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)	BDBM2955 (GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...) Show SMILES CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |r| Show InChI InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	45	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)	BDBM2955 (GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...) Show SMILES CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |r| Show InChI InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	179	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 10: 1729-31 (2000) Article DOI: 10.1016/s0960-894x(00)00321-8 BindingDB Entry DOI: 10.7270/Q2RR1WF0
					More data for this Ligand-Target Pair				3D Structure (crystal)