BDBM50020308 CHEMBL3288836

SMILES: CCOC(=O)[C@@H]1CCCN1c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12

InChI Key: InChIKey=PUNLCXWEMBRSKM-KRWDZBQOSA-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 = 50020308   

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
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50020308 (CHEMBL3288836) Show SMILES CCOC(=O)[C@@H]1CCCN1c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C23H22F2N4O5/c1-2-34-23(32)17-6-4-10-28(17)19-15-5-3-9-26-20(15)29(33)22(31)18(19)21(30)27-12-13-7-8-14(24)11-16(13)25/h3,5,7-9,11,17,33H,2,4,6,10,12H2,1H3,(H,27,30)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50020308 (CHEMBL3288836) Show SMILES CCOC(=O)[C@@H]1CCCN1c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C23H22F2N4O5/c1-2-34-23(32)17-6-4-10-28(17)19-15-5-3-9-26-20(15)29(33)22(31)18(19)21(30)27-12-13-7-8-14(24)11-16(13)25/h3,5,7-9,11,17,33H,2,4,6,10,12H2,1H3,(H,27,30)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 3'-processing activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair