BDBM50409852 CHEMBL129778

SMILES: COc1cccc(Nc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]2)c1

InChI Key: InChIKey=YYQWMYDERBYAMK-UHFFFAOYSA-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 = 50409852   

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)	BDBM50409852 (CHEMBL129778) Show SMILES COc1cccc(Nc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]2)c1 Show InChI InChI=1S/C16H16ClN5O3S2/c1-9-6-14(13(26)8-12(9)17)27(23,24)22-16-19-15(20-21-16)18-10-4-3-5-11(7-10)25-2/h3-8,26H,1-2H3,(H3,18,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against 3' processing by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50409852 (CHEMBL129778) Show SMILES COc1cccc(Nc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]2)c1 Show InChI InChI=1S/C16H16ClN5O3S2/c1-9-6-14(13(26)8-12(9)17)27(23,24)22-16-19-15(20-21-16)18-10-4-3-5-11(7-10)25-2/h3-8,26H,1-2H3,(H3,18,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against DNA strand transfer by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair