BDBM50424260 CHEMBL2314461

SMILES: CC[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=CLTIRFBQVYXMKS-NSHDSACASA-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 = 50424260   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50424260 (CHEMBL2314461) Show SMILES CC[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C16H22N8O/c1-4-11(8-25)20-16-22-13(21-15-17-6-5-7-18-15)12-14(23-16)24(9-19-12)10(2)3/h5-7,9-11,25H,4,8H2,1-3H3,(H2,17,18,20,21,22,23)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting				Bioorg Med Chem Lett 23: 125-31 (2012) Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50424260 (CHEMBL2314461) Show SMILES CC[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C16H22N8O/c1-4-11(8-25)20-16-22-13(21-15-17-6-5-7-18-15)12-14(23-16)24(9-19-12)10(2)3/h5-7,9-11,25H,4,8H2,1-3H3,(H2,17,18,20,21,22,23)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-fused human DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate				Bioorg Med Chem Lett 23: 125-31 (2012) Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS
					More data for this Ligand-Target Pair