BDBM50396512 CHEMBL2171112

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

InChI Key: InChIKey=YUQQALDDDNMMOJ-PDGQHHTCSA-N

Data: 6 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 6 hits for monomerid = 50396512   

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 1-dehydrogenase (Plasmodium falciparum)	BDBM50396512 (CHEMBL2171112) Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+4	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 (Plasmodium falciparum)	BDBM50396512 (CHEMBL2171112) Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	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 (G6PD) (Homo sapiens (Human))	BDBM50396512 (CHEMBL2171112) Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	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 1-dehydrogenase (Plasmodium falciparum)	BDBM50396512 (CHEMBL2171112) Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	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 dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM50396512 (CHEMBL2171112) Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	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 1-dehydrogenase (Plasmodium falciparum)	BDBM50396512 (CHEMBL2171112) Show SMILES CN(C)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C20H20FN3O2S/c1-24(2)10-9-22-19(25)14-7-8-17-16(11-14)23-20(26)18(27-17)12-13-5-3-4-6-15(13)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)/b18-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	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