BDBM50523273 CHEMBL4459540

SMILES: O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12

InChI Key: InChIKey=HPUUQGKVJFVXEY-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 = 50523273   

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
Glycogen synthase kinase-3 (Sus scrofa)	BDBM50523273 (CHEMBL4459540) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C29H31N9O3/c39-28-23-4-3-5-24(27(23)25-6-1-2-14-38(25)28)33-29(40)34-26-16-20(7-12-32-26)18-41-19-22-17-37(36-35-22)15-13-31-21-8-10-30-11-9-21/h3-5,7-12,16-17,25H,1-2,6,13-15,18-19H2,(H,30,31)(H2,32,33,34,40)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50523273 (CHEMBL4459540) Show SMILES O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C29H31N9O3/c39-28-23-4-3-5-24(27(23)25-6-1-2-14-38(25)28)33-29(40)34-26-16-20(7-12-32-26)18-41-19-22-17-37(36-35-22)15-13-31-21-8-10-30-11-9-21/h3-5,7-12,16-17,25H,1-2,6,13-15,18-19H2,(H,30,31)(H2,32,33,34,40)	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	200	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