Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.4 BDBM54373Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 9 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
X-box-binding protein 1 (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.18E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TDC
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.60E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z899VD
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.85E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.05E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TH8K43
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54373 (1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...) Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.35E+3	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 (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair