Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.8 BDBM67974Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67974 (MLS000573359 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)c1cccnc1)c1ccccc1 Show InChI InChI=1S/C22H16ClN3O2/c23-18-12-17(21(27)20-16(18)9-5-11-25-20)19(14-6-2-1-3-7-14)26-22(28)15-8-4-10-24-13-15/h1-13,19,27H,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.12E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67974 (MLS000573359 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)c1cccnc1)c1ccccc1 Show InChI InChI=1S/C22H16ClN3O2/c23-18-12-17(21(27)20-16(18)9-5-11-25-20)19(14-6-2-1-3-7-14)26-22(28)15-8-4-10-24-13-15/h1-13,19,27H,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.12E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67974 (MLS000573359 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)c1cccnc1)c1ccccc1 Show InChI InChI=1S/C22H16ClN3O2/c23-18-12-17(21(27)20-16(18)9-5-11-25-20)19(14-6-2-1-3-7-14)26-22(28)15-8-4-10-24-13-15/h1-13,19,27H,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	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