BDBM50273902 CHEMBL4126659

SMILES: CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O

InChI Key: InChIKey=APRAMCVZFQMZQM-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50273902   

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
Integrase (Human immunodeficiency virus 1)	BDBM50273902 (CHEMBL4126659) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 10% fetal bovine serum and 10% human...				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273902 (CHEMBL4126659) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 10% fetal bovine serum				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50273902 (CHEMBL4126659) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc2n(CCCC22CCCC2)c(=O)c1O Show InChI InChI=1S/C22H27FN4O5S/c1-26(2)33(31,32)16-12-15(23)7-6-14(16)13-24-19(29)17-18(28)20(30)27-11-5-10-22(21(27)25-17)8-3-4-9-22/h6-7,12,28H,3-5,8-11,13H2,1-2H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 28: 2124-2130 (2018) Article DOI: 10.1016/j.bmcl.2018.05.027 BindingDB Entry DOI: 10.7270/Q2BK1FVJ
					More data for this Ligand-Target Pair