BDBM50154924 CHEMBL3775223

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

InChI Key: InChIKey=CJLTWANHPMOFEB-TZIWHRDSSA-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 = 50154924   

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/CycE (Homo sapiens (Human))	BDBM50154924 (CHEMBL3775223) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	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-like kinase 5 (Homo sapiens (Human))	BDBM50154924 (CHEMBL3775223) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	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