BDBM50352491 CHEMBL1824539

SMILES: COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1

InChI Key: InChIKey=CCJAUHZAAWYCGK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50352491   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	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+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair