null

SMILES: CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=QOAWOYVJVKOWMX-MXVIHJGJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50154920   

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-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154920 (CHEMBL3774503) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-2.35,-5.41,;-3.68,-6.19,;-3.67,-7.73,;-2.33,-8.49,;-1,-7.71,;-1.01,-6.17,;-2.32,-10.03,;-3.65,-10.81,;-3.64,-12.35,;-2.3,-13.11,;-.97,-12.33,;-.98,-10.79,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-7.7,-.82,;-8.76,-1.45,;-7.71,.72,;-6.39,1.5,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-20-12-10-19(27)11-13-20)29-15-17-6-8-18(9-7-17)21-5-3-4-14-28-21/h3-9,14,16,19-20H,10-13,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154920 (CHEMBL3774503) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-2.35,-5.41,;-3.68,-6.19,;-3.67,-7.73,;-2.33,-8.49,;-1,-7.71,;-1.01,-6.17,;-2.32,-10.03,;-3.65,-10.81,;-3.64,-12.35,;-2.3,-13.11,;-.97,-12.33,;-.98,-10.79,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-7.7,-.82,;-8.76,-1.45,;-7.71,.72,;-6.39,1.5,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-20-12-10-19(27)11-13-20)29-15-17-6-8-18(9-7-17)21-5-3-4-14-28-21/h3-9,14,16,19-20H,10-13,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair