null

SMILES: CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1

InChI Key: InChIKey=AGSWJCGWRGCGSY-ZHZULCJRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50396508   

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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human glucose-6-phosphate dehydrogenase after 90 mins by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human glucose-6-phosphate dehydrogenase after 90 mins by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair