Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 436.9 BDBM67870Purchase

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)	BDBM67870 (MLS000567384 | SMR000154141 | [1-(2-chlorobenzyl)-...) Show SMILES Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C25H29ClN4O/c1-17-8-7-11-23(18(17)2)28-12-14-29(15-13-28)25(31)24-19(3)27-30(20(24)4)16-21-9-5-6-10-22(21)26/h5-11H,12-16H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67870 (MLS000567384 | SMR000154141 | [1-(2-chlorobenzyl)-...) Show SMILES Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C25H29ClN4O/c1-17-8-7-11-23(18(17)2)28-12-14-29(15-13-28)25(31)24-19(3)27-30(20(24)4)16-21-9-5-6-10-22(21)26/h5-11H,12-16H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67870 (MLS000567384 | SMR000154141 | [1-(2-chlorobenzyl)-...) Show SMILES Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C25H29ClN4O/c1-17-8-7-11-23(18(17)2)28-12-14-29(15-13-28)25(31)24-19(3)27-30(20(24)4)16-21-9-5-6-10-22(21)26/h5-11H,12-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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