BDBM50064141 CHEMBL3401116

SMILES: CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F

InChI Key: InChIKey=NUIXEUAEKRDSJR-UHFFFAOYSA-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 = 50064141   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064141 (CHEMBL3401116) Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50064141 (CHEMBL3401116) Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3	PDB MMDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50064141 (CHEMBL3401116) Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50064141 (CHEMBL3401116) Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair