BDBM50154921 CHEMBL3775657

SMILES: CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12

InChI Key: InChIKey=XBLBXBVMJYWOBB-UHFFFAOYSA-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 = 50154921   

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))	BDBM50154921 (CHEMBL3775657) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12 Show InChI InChI=1S/C24H30N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)26-13-14-32(3)4)27-15-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,16H,13-15H2,1-4H3,(H,30,31)(H2,26,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	467	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))	BDBM50154921 (CHEMBL3775657) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12 Show InChI InChI=1S/C24H30N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)26-13-14-32(3)4)27-15-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,16H,13-15H2,1-4H3,(H,30,31)(H2,26,27,28,29)	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	2.14E+3	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