BDBM50050853 CHEMBL3318029

SMILES: Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1

InChI Key: InChIKey=BQCBWCAJXUXWIA-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50050853   

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
Homeodomain-interacting protein kinase 1 (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of HIPK1 (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of YES (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of TrkA (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of c-Abl (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50050853 (CHEMBL3318029) Show SMILES Cn1cc(cn1)-c1cnc2ccc(NC(=O)NCc3ccccc3)nc2c1 Show InChI InChI=1S/C20H18N6O/c1-26-13-16(12-23-26)15-9-18-17(21-11-15)7-8-19(24-18)25-20(27)22-10-14-5-3-2-4-6-14/h2-9,11-13H,10H2,1H3,(H2,22,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Bioorg Med Chem Lett 24: 3748-52 (2014) Article DOI: 10.1016/j.bmcl.2014.06.078 BindingDB Entry DOI: 10.7270/Q270832Z
					More data for this Ligand-Target Pair