Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 275.2 BDBM50216171

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

Found 5 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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50216171 (CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21 Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Université Blaise Pascal Curated by ChEMBL					Assay Description Inhibition of human Chk1				Bioorg Med Chem 15: 5965-80 (2007) Article DOI: 10.1016/j.bmc.2007.05.073 BindingDB Entry DOI: 10.7270/Q2KW5FR0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50216171 (CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21 Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of human Chk1				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50216171 (CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21 Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50216171 (CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21 Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli using Woodtide as substrate and [gamma-33P] after 30 mins by scintillati...				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50216171 (CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21 Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair