BDBM50396500 CHEMBL2170914

SMILES: Clc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1

InChI Key: InChIKey=OEQUVNOKRBDVHU-ZHZULCJRSA-N

Data: 3 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 3 hits for monomerid = 50396500   

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)	BDBM50396500 (CHEMBL2170914) Show SMILES Clc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C22H22ClN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(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	>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 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))	BDBM50396500 (CHEMBL2170914) Show SMILES Clc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C22H22ClN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,24,27)(H,25,28)/b20-14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 1-dehydrogenase (Plasmodium falciparum)	BDBM50396500 (CHEMBL2170914) Show SMILES Clc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C22H22ClN3O2S/c23-17-6-2-1-5-15(17)14-20-22(28)25-18-13-16(7-8-19(18)29-20)21(27)24-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(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	1.11E+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