BDBM50523280 CHEMBL4435354

SMILES: O=C(Nc1cc(COCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12

InChI Key: InChIKey=YFXBIIDXMTUIMX-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 = 50523280   

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))	BDBM50523280 (CHEMBL4435354) Show SMILES O=C(Nc1cc(COCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C22H22N4O3/c1-2-12-29-14-15-9-10-23-19(13-15)25-22(28)24-17-7-5-6-16-20(17)18-8-3-4-11-26(18)21(16)27/h1,5-7,9-10,13,18H,3-4,8,11-12,14H2,(H2,23,24,25,28)	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	150	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)	BDBM50523280 (CHEMBL4435354) Show SMILES O=C(Nc1cc(COCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C22H22N4O3/c1-2-12-29-14-15-9-10-23-19(13-15)25-22(28)24-17-7-5-6-16-20(17)18-8-3-4-11-26(18)21(16)27/h1,5-7,9-10,13,18H,3-4,8,11-12,14H2,(H2,23,24,25,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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