Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 291.2 BDBM50216159

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50216159 (5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...) Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1 Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)	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	16	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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50216159 (5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...) Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1 Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50216159 (5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...) Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1 Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50216159 (5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...) Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1 Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)	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	2.60E+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