Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.0 BDBM50486142

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50486142 (CHEMBL2204075) Show SMILES COc1cc(Br)c(C[C@H](C([O-])=O)[N+](C)(C)C)c(Br)c1 |r| Show InChI InChI=1S/C13H17Br2NO3/c1-16(2,3)12(13(17)18)7-9-10(14)5-8(19-4)6-11(9)15/h5-6,12H,7H2,1-4H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem 20: 6924-8 (2012) Article DOI: 10.1016/j.bmc.2012.10.014 BindingDB Entry DOI: 10.7270/Q2MP565Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50486142 (CHEMBL2204075) Show SMILES COc1cc(Br)c(C[C@H](C([O-])=O)[N+](C)(C)C)c(Br)c1 |r| Show InChI InChI=1S/C13H17Br2NO3/c1-16(2,3)12(13(17)18)7-9-10(14)5-8(19-4)6-11(9)15/h5-6,12H,7H2,1-4H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of PLK1				Bioorg Med Chem 20: 6924-8 (2012) Article DOI: 10.1016/j.bmc.2012.10.014 BindingDB Entry DOI: 10.7270/Q2MP565Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50486142 (CHEMBL2204075) Show SMILES COc1cc(Br)c(C[C@H](C([O-])=O)[N+](C)(C)C)c(Br)c1 |r| Show InChI InChI=1S/C13H17Br2NO3/c1-16(2,3)12(13(17)18)7-9-10(14)5-8(19-4)6-11(9)15/h5-6,12H,7H2,1-4H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem 20: 6924-8 (2012) Article DOI: 10.1016/j.bmc.2012.10.014 BindingDB Entry DOI: 10.7270/Q2MP565Q
					More data for this Ligand-Target Pair