Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.3 BDBM54153Purchase

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

Found 8 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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	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	4.92E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.99E+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)	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.39E+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)	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.39E+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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.07E+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 1 (Homo sapiens (Human))	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.68E+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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	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))	BDBM54153 (1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)	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	3.10E+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