Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.8 BDBM68177Purchase

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)	BDBM68177 (MLS000769099 | SMR000433813 | [3-(2-chloranylquino...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cc2ccccc2nc1Cl)C(=O)c1ccco1 |t:9| Show InChI InChI=1S/C24H18ClN3O3/c1-30-17-10-8-15(9-11-17)20-14-21(28(27-20)24(29)22-7-4-12-31-22)18-13-16-5-2-3-6-19(16)26-23(18)25/h2-13,21H,14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	650	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)	BDBM68177 (MLS000769099 | SMR000433813 | [3-(2-chloranylquino...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cc2ccccc2nc1Cl)C(=O)c1ccco1 |t:9| Show InChI InChI=1S/C24H18ClN3O3/c1-30-17-10-8-15(9-11-17)20-14-21(28(27-20)24(29)22-7-4-12-31-22)18-13-16-5-2-3-6-19(16)26-23(18)25/h2-13,21H,14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	650	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))	BDBM68177 (MLS000769099 | SMR000433813 | [3-(2-chloranylquino...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cc2ccccc2nc1Cl)C(=O)c1ccco1 |t:9| Show InChI InChI=1S/C24H18ClN3O3/c1-30-17-10-8-15(9-11-17)20-14-21(28(27-20)24(29)22-7-4-12-31-22)18-13-16-5-2-3-6-19(16)26-23(18)25/h2-13,21H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.21E+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