Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 403.2 BDBM67900Purchase

Wt: 403.2 BDBM50237239Purchase

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

Found 4 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))	BDBM67900 (MLS000544259 | N'-{[3-(3,4-dichlorophenyl)-1H-...) Show SMILES Cc1ccc(OCC(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 |w:10.9| Show InChI InChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b22-9+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.41E+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)	BDBM67900 (MLS000544259 | N'-{[3-(3,4-dichlorophenyl)-1H-...) Show SMILES Cc1ccc(OCC(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 |w:10.9| Show InChI InChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b22-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.20E+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)	BDBM67900 (MLS000544259 | N'-{[3-(3,4-dichlorophenyl)-1H-...) Show SMILES Cc1ccc(OCC(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 |w:10.9| Show InChI InChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b22-9+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.20E+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
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50237239 (CHEMBL3192431) Show SMILES Cc1ccc(OCC(=O)N\N=C\c2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-12-2-5-15(6-3-12)27-11-18(26)24-22-9-14-10-23-25-19(14)13-4-7-16(20)17(21)8-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b22-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 m...				Bioorg Med Chem Lett 27: 1776-1779 (2017) Article DOI: 10.1016/j.bmcl.2017.02.060 BindingDB Entry DOI: 10.7270/Q2H41TQC
					More data for this Ligand-Target Pair