BDBM59097 Aminopyrimidine, 10

SMILES: CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1

InChI Key: InChIKey=GAKKPKBEHVIOLH-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 = 59097   

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))	BDBM59097 (Aminopyrimidine, 10) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)	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	7	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))	BDBM59097 (Aminopyrimidine, 10) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	219	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))	BDBM59097 (Aminopyrimidine, 10) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)	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	220	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