BDBM50154930 CHEMBL3774932

SMILES: CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

InChI Key: InChIKey=QPROYVRFSAMXGU-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 = 50154930   

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))	BDBM50154930 (CHEMBL3774932) Show SMILES CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C24H29N7O/c1-4-18(14-32)27-24-28-21-20(15(2)3)30-31-22(21)23(29-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,32H,4,13-14H2,1-3H3,(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	54	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))	BDBM50154930 (CHEMBL3774932) Show SMILES CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C24H29N7O/c1-4-18(14-32)27-24-28-21-20(15(2)3)30-31-22(21)23(29-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,32H,4,13-14H2,1-3H3,(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	9	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