BDBM50378290 CHEMBL568310

SMILES: CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=MHSDRURPTIXMJZ-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 = 50378290   

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))	BDBM50378290 (CHEMBL568310) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(29.87,-.79,;30.89,.36,;32.4,.06,;30.4,1.83,;31.3,3.08,;30.38,4.31,;28.93,3.82,;27.59,4.58,;27.59,6.12,;26.25,6.88,;24.92,6.11,;24.92,4.56,;23.59,3.79,;22.26,4.56,;22.25,6.09,;23.57,6.87,;20.93,3.78,;20.94,2.25,;19.61,1.47,;18.27,2.23,;18.26,3.78,;16.92,4.54,;19.59,4.55,;26.26,3.81,;26.27,2.27,;24.94,1.49,;24.95,-.05,;26.28,-.81,;26.28,-2.35,;24.94,-3.13,;24.94,-4.67,;23.61,-2.36,;23.61,-.82,;27.61,1.5,;28.94,2.29,)| Show InChI InChI=1S/C26H31FN8/c1-16(2)35-15-31-23-24(33-26(34-25(23)35)32-21-9-7-20(28)8-10-21)30-14-17-6-11-22(29-13-17)18-4-3-5-19(27)12-18/h3-6,11-13,15-16,20-21H,7-10,14,28H2,1-2H3,(H2,30,32,33,34)/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	0.0800	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))	BDBM50378290 (CHEMBL568310) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(29.87,-.79,;30.89,.36,;32.4,.06,;30.4,1.83,;31.3,3.08,;30.38,4.31,;28.93,3.82,;27.59,4.58,;27.59,6.12,;26.25,6.88,;24.92,6.11,;24.92,4.56,;23.59,3.79,;22.26,4.56,;22.25,6.09,;23.57,6.87,;20.93,3.78,;20.94,2.25,;19.61,1.47,;18.27,2.23,;18.26,3.78,;16.92,4.54,;19.59,4.55,;26.26,3.81,;26.27,2.27,;24.94,1.49,;24.95,-.05,;26.28,-.81,;26.28,-2.35,;24.94,-3.13,;24.94,-4.67,;23.61,-2.36,;23.61,-.82,;27.61,1.5,;28.94,2.29,)| Show InChI InChI=1S/C26H31FN8/c1-16(2)35-15-31-23-24(33-26(34-25(23)35)32-21-9-7-20(28)8-10-21)30-14-17-6-11-22(29-13-17)18-4-3-5-19(27)12-18/h3-6,11-13,15-16,20-21H,7-10,14,28H2,1-2H3,(H2,30,32,33,34)/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	0.0400	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