BDBM50523279 CHEMBL4583414

SMILES: O=C(Nc1cc(COCc2cn(CCNc3ccnc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12

InChI Key: InChIKey=VPHIIYUPZXTLRL-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 = 50523279   

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))	BDBM50523279 (CHEMBL4583414) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccnc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C33H33N9O3/c43-32-25-7-5-9-28(31(25)29-10-3-4-16-42(29)32)37-33(44)38-30-18-22(11-13-36-30)20-45-21-23-19-41(40-39-23)17-15-35-27-12-14-34-26-8-2-1-6-24(26)27/h1-2,5-9,11-14,18-19,29H,3-4,10,15-17,20-21H2,(H,34,35)(H2,36,37,38,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Sus scrofa)	BDBM50523279 (CHEMBL4583414) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccnc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C33H33N9O3/c43-32-25-7-5-9-28(31(25)29-10-3-4-16-42(29)32)37-33(44)38-30-18-22(11-13-36-30)20-45-21-23-19-41(40-39-23)17-15-35-27-12-14-34-26-8-2-1-6-24(26)27/h1-2,5-9,11-14,18-19,29H,3-4,10,15-17,20-21H2,(H,34,35)(H2,36,37,38,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillatio...				Eur J Med Chem 168: 58-77 (2019) Article DOI: 10.1016/j.ejmech.2018.12.063
					More data for this Ligand-Target Pair