BDBM50378309 CHEMBL568093

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=POYXCJPTKLIEPQ-MXVIHJGJSA-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 = 50378309   

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 E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM50378309 (CHEMBL568093) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.7,-44.37,;1.73,-43.22,;3.23,-43.53,;1.24,-41.76,;2.13,-40.51,;1.22,-39.28,;-.24,-39.76,;-1.57,-39.01,;-1.58,-37.47,;-2.92,-36.7,;-4.25,-37.48,;-4.24,-39.02,;-5.57,-39.8,;-6.91,-39.03,;-6.92,-37.49,;-5.59,-36.72,;-8.24,-39.81,;-9.65,-39.19,;-10.67,-40.33,;-9.9,-41.67,;-8.39,-41.34,;-2.91,-39.78,;-2.9,-41.32,;-4.23,-42.1,;-4.22,-43.64,;-2.89,-44.4,;-2.89,-45.94,;-4.22,-46.71,;-4.22,-48.25,;-5.56,-45.94,;-5.56,-44.41,;-1.56,-42.08,;-.23,-41.3,)| Show InChI InChI=1S/C25H32N8/c1-17(2)33-16-28-22-23(27-15-18-5-11-21(12-6-18)32-13-3-4-14-32)30-25(31-24(22)33)29-20-9-7-19(26)8-10-20/h3-6,11-14,16-17,19-20H,7-10,15,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50378309 (CHEMBL568093) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.7,-44.37,;1.73,-43.22,;3.23,-43.53,;1.24,-41.76,;2.13,-40.51,;1.22,-39.28,;-.24,-39.76,;-1.57,-39.01,;-1.58,-37.47,;-2.92,-36.7,;-4.25,-37.48,;-4.24,-39.02,;-5.57,-39.8,;-6.91,-39.03,;-6.92,-37.49,;-5.59,-36.72,;-8.24,-39.81,;-9.65,-39.19,;-10.67,-40.33,;-9.9,-41.67,;-8.39,-41.34,;-2.91,-39.78,;-2.9,-41.32,;-4.23,-42.1,;-4.22,-43.64,;-2.89,-44.4,;-2.89,-45.94,;-4.22,-46.71,;-4.22,-48.25,;-5.56,-45.94,;-5.56,-44.41,;-1.56,-42.08,;-.23,-41.3,)| Show InChI InChI=1S/C25H32N8/c1-17(2)33-16-28-22-23(27-15-18-5-11-21(12-6-18)32-13-3-4-14-32)30-25(31-24(22)33)29-20-9-7-19(26)8-10-20/h3-6,11-14,16-17,19-20H,7-10,15,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-	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	0.200	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