BDBM80759 7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-5,8-dione::7-[(1-oxidanyl-1-phenyl-propan-2-yl)amino]quinoline-5,8-dione::7-[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]quinoline-5,8-quinone::CHEMBL339439::MLS002702297::SMR001565859::cid_386231

SMILES: CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1

InChI Key: InChIKey=NRNOHSAWMMRPDI-UHFFFAOYSA-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 = 80759   

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
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80759 (7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...) Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.85E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80759 (7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...) Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.51E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM80759 (7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...) Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibitory Activity against Recombinant Human PTP1				J Med Chem 44: 4042-9 (2001) BindingDB Entry DOI: 10.7270/Q2X34WR5
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM80759 (7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...) Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibitory Activity against Recombinant Human VHR				J Med Chem 44: 4042-9 (2001) BindingDB Entry DOI: 10.7270/Q2X34WR5
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM80759 (7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...) Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cell division cycle 25B				J Med Chem 44: 4042-9 (2001) BindingDB Entry DOI: 10.7270/Q2X34WR5
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM80759 (7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...) Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair