Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.9 BDBM68011Purchase

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

Found 3 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))	BDBM68011 (2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4...) Show SMILES Cn1c2cc(Cl)ccc2c(SCC(=O)NCCC2=CCCCC2)cc1=O |t:18| Show InChI InChI=1S/C20H23ClN2O2S/c1-23-17-11-15(21)7-8-16(17)18(12-20(23)25)26-13-19(24)22-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	430	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)	BDBM68011 (2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4...) Show SMILES Cn1c2cc(Cl)ccc2c(SCC(=O)NCCC2=CCCCC2)cc1=O |t:18| Show InChI InChI=1S/C20H23ClN2O2S/c1-23-17-11-15(21)7-8-16(17)18(12-20(23)25)26-13-19(24)22-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.01E+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)	BDBM68011 (2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4...) Show SMILES Cn1c2cc(Cl)ccc2c(SCC(=O)NCCC2=CCCCC2)cc1=O |t:18| Show InChI InChI=1S/C20H23ClN2O2S/c1-23-17-11-15(21)7-8-16(17)18(12-20(23)25)26-13-19(24)22-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.01E+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