BDBM50378292 CHEMBL566106

SMILES: CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=VVXLHYKOWIXRSV-IYARVYRRSA-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 = 50378292   

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
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378292 (CHEMBL566106) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)| Show InChI InChI=1S/C23H30N10/c1-15(2)32-14-27-20-21(26-13-16-4-9-19(25-12-16)33-11-3-10-28-33)30-23(31-22(20)32)29-18-7-5-17(24)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,24H2,1-2H3,(H2,26,29,30,31)/t17-,18-	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	0.0700	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50378292 (CHEMBL566106) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)| Show InChI InChI=1S/C23H30N10/c1-15(2)32-14-27-20-21(26-13-16-4-9-19(25-12-16)33-11-3-10-28-33)30-23(31-22(20)32)29-18-7-5-17(24)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,24H2,1-2H3,(H2,26,29,30,31)/t17-,18-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	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