BDBM81104 3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahydro-1H,5H-2-oxa-11-thia-5a,6,9,10-tetraaza-benzo[b ]fluoren-7-yl)-propionic acid::MLS000776808::SMR000413206::cid_1850590

SMILES: CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21

InChI Key: InChIKey=WVPSHGDOOUQNAV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 81104   

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-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81104 (3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...) Show SMILES CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21 Show InChI InChI=1S/C22H20N4O5S/c1-22(2)10-13-15(11-31-22)32-18-17(13)20(30)26-21(23-18)25(12-6-4-3-5-7-12)19(29)14(24-26)8-9-16(27)28/h3-7H,8-11H2,1-2H3,(H,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81104 (3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...) Show SMILES CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21 Show InChI InChI=1S/C22H20N4O5S/c1-22(2)10-13-15(11-31-22)32-18-17(13)20(30)26-21(23-18)25(12-6-4-3-5-7-12)19(29)14(24-26)8-9-16(27)28/h3-7H,8-11H2,1-2H3,(H,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81104 (3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...) Show SMILES CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21 Show InChI InChI=1S/C22H20N4O5S/c1-22(2)10-13-15(11-31-22)32-18-17(13)20(30)26-21(23-18)25(12-6-4-3-5-7-12)19(29)14(24-26)8-9-16(27)28/h3-7H,8-11H2,1-2H3,(H,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W
					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM81104 (3-(3,3-Dimethyl-5,8-dioxo-9-phenyl-3,4,8,9-tetrahy...) Show SMILES CC1(C)Cc2c(CO1)sc1nc3n(-c4ccccc4)c(=O)c(CCC(O)=O)nn3c(=O)c21 Show InChI InChI=1S/C22H20N4O5S/c1-22(2)10-13-15(11-31-22)32-18-17(13)20(30)26-21(23-18)25(12-6-4-3-5-7-12)19(29)14(24-26)8-9-16(27)28/h3-7H,8-11H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389
					More data for this Ligand-Target Pair