BDBM59095 Aminopyrimidine, 7

SMILES: CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1

InChI Key: InChIKey=DGNOUZUYIKVFRZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 59095   

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
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59095 (Aminopyrimidine, 7) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM59095 (Aminopyrimidine, 7) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tours Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Eur J Med Chem 108: 701-19 (2016) BindingDB Entry DOI: 10.7270/Q22J6DQD
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59095 (Aminopyrimidine, 7) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair