BDBM50378317 CHEMBL565273

SMILES: CC(C)n1cnc2c(NCc3ccc(cn3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=CRIFRFPODBUDGN-MEMLXQNLSA-N

Data: 2 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 2 hits for monomerid = 50378317   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50378317 (CHEMBL565273) Show SMILES CC(C)n1cnc2c(NCc3ccc(cn3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.3,-1.19,;16.32,-.04,;17.83,-.35,;15.84,1.42,;16.73,2.67,;15.82,3.91,;14.36,3.42,;13.03,4.18,;13.02,5.72,;11.68,6.48,;10.35,5.7,;10.36,4.16,;9.03,3.39,;7.69,4.16,;7.68,5.69,;9,6.47,;6.36,3.38,;5.02,4.15,;3.69,3.37,;3.7,1.83,;5.04,1.07,;6.37,1.84,;11.69,3.4,;11.7,1.86,;10.37,1.09,;10.38,-.45,;11.71,-1.21,;11.71,-2.76,;10.37,-3.53,;10.38,-5.07,;9.04,-2.76,;9.04,-1.23,;13.04,1.1,;14.37,1.88,)| Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-12-9-20(27)10-13-21)29-15-22-11-8-19(14-28-22)18-6-4-3-5-7-18/h3-8,11,14,16-17,20-21H,9-10,12-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM50378317 (CHEMBL565273) Show SMILES CC(C)n1cnc2c(NCc3ccc(cn3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.3,-1.19,;16.32,-.04,;17.83,-.35,;15.84,1.42,;16.73,2.67,;15.82,3.91,;14.36,3.42,;13.03,4.18,;13.02,5.72,;11.68,6.48,;10.35,5.7,;10.36,4.16,;9.03,3.39,;7.69,4.16,;7.68,5.69,;9,6.47,;6.36,3.38,;5.02,4.15,;3.69,3.37,;3.7,1.83,;5.04,1.07,;6.37,1.84,;11.69,3.4,;11.7,1.86,;10.37,1.09,;10.38,-.45,;11.71,-1.21,;11.71,-2.76,;10.37,-3.53,;10.38,-5.07,;9.04,-2.76,;9.04,-1.23,;13.04,1.1,;14.37,1.88,)| Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-12-9-20(27)10-13-21)29-15-22-11-8-19(14-28-22)18-6-4-3-5-7-18/h3-8,11,14,16-17,20-21H,9-10,12-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair