BDBM50388783 CHEMBL2062565

SMILES: CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

InChI Key: InChIKey=SYFFUKLBOFFLLY-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 = 50388783   

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))	BDBM50388783 (CHEMBL2062565) Show SMILES CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C19H16N8O/c1-11(28)23-14-6-16-15(21-10-14)4-5-26(16)17-7-18(24-13-2-3-13)27-19(25-17)12(8-20)9-22-27/h4-7,9-10,13,24H,2-3H2,1H3,(H,23,28)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GSK3beta				ACS Med Chem Lett 3: 278-283 (2012) Article DOI: 10.1021/ml200257n BindingDB Entry DOI: 10.7270/Q23N24GS
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50388783 (CHEMBL2062565) Show SMILES CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C19H16N8O/c1-11(28)23-14-6-16-15(21-10-14)4-5-26(16)17-7-18(24-13-2-3-13)27-19(25-17)12(8-20)9-22-27/h4-7,9-10,13,24H,2-3H2,1H3,(H,23,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2				ACS Med Chem Lett 3: 278-283 (2012) Article DOI: 10.1021/ml200257n BindingDB Entry DOI: 10.7270/Q23N24GS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50388783 (CHEMBL2062565) Show SMILES CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C19H16N8O/c1-11(28)23-14-6-16-15(21-10-14)4-5-26(16)17-7-18(24-13-2-3-13)27-19(25-17)12(8-20)9-22-27/h4-7,9-10,13,24H,2-3H2,1H3,(H,23,28)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDK2				ACS Med Chem Lett 3: 278-283 (2012) Article DOI: 10.1021/ml200257n BindingDB Entry DOI: 10.7270/Q23N24GS
					More data for this Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2) (Homo sapiens (Human))	BDBM50388783 (CHEMBL2062565) Show SMILES CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C19H16N8O/c1-11(28)23-14-6-16-15(21-10-14)4-5-26(16)17-7-18(24-13-2-3-13)27-19(25-17)12(8-20)9-22-27/h4-7,9-10,13,24H,2-3H2,1H3,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HipK2				ACS Med Chem Lett 3: 278-283 (2012) Article DOI: 10.1021/ml200257n BindingDB Entry DOI: 10.7270/Q23N24GS
					More data for this Ligand-Target Pair