BDBM50140929 CHEMBL3754608

SMILES: COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1

InChI Key: InChIKey=IPDGPAPXRDBDEG-NTUHNPAUSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50140929   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kinesin-like protein KIF20A (Homo sapiens (Human))	BDBM50140929 (CHEMBL3754608) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1 Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lacta...				Bioorg Med Chem 24: 721-34 (2016) BindingDB Entry DOI: 10.7270/Q29025NR
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50140929 (CHEMBL3754608) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1 Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50140929 (CHEMBL3754608) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1 Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Kinesin-like protein KIF20A (Homo sapiens (Human))	BDBM50140929 (CHEMBL3754608) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1 Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyr...				Bioorg Med Chem 24: 721-34 (2016) BindingDB Entry DOI: 10.7270/Q29025NR
					More data for this Ligand-Target Pair