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SMILES: COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O

InChI Key: InChIKey=UMGNQHACORYUCH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81073   

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 (Homo sapiens (Human))	BDBM81073 (1,2-dihydroacenaphthylen-5-yl-[1-[(3,5-dimethoxy-4...) Show SMILES COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O Show InChI InChI=1S/C27H29NO4/c1-31-23-13-17(14-24(32-2)27(23)30)15-28-12-4-6-20(16-28)26(29)22-11-10-19-9-8-18-5-3-7-21(22)25(18)19/h3,5,7,10-11,13-14,20,30H,4,6,8-9,12,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.43E+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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81073 (1,2-dihydroacenaphthylen-5-yl-[1-[(3,5-dimethoxy-4...) Show SMILES COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O Show InChI InChI=1S/C27H29NO4/c1-31-23-13-17(14-24(32-2)27(23)30)15-28-12-4-6-20(16-28)26(29)22-11-10-19-9-8-18-5-3-7-21(22)25(18)19/h3,5,7,10-11,13-14,20,30H,4,6,8-9,12,15-16H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.84E+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)	BDBM81073 (1,2-dihydroacenaphthylen-5-yl-[1-[(3,5-dimethoxy-4...) Show SMILES COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O Show InChI InChI=1S/C27H29NO4/c1-31-23-13-17(14-24(32-2)27(23)30)15-28-12-4-6-20(16-28)26(29)22-11-10-19-9-8-18-5-3-7-21(22)25(18)19/h3,5,7,10-11,13-14,20,30H,4,6,8-9,12,15-16H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+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/Q27H1H3W
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81073 (1,2-dihydroacenaphthylen-5-yl-[1-[(3,5-dimethoxy-4...) Show SMILES COc1cc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)cc(OC)c1O Show InChI InChI=1S/C27H29NO4/c1-31-23-13-17(14-24(32-2)27(23)30)15-28-12-4-6-20(16-28)26(29)22-11-10-19-9-8-18-5-3-7-21(22)25(18)19/h3,5,7,10-11,13-14,20,30H,4,6,8-9,12,15-16H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.44E+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