BDBM50399302 CHEMBL2180845

SMILES: Oc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1

InChI Key: InChIKey=ZSVORXJTFFJPHB-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 = 50399302   

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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50399302 (CHEMBL2180845) Show SMILES Oc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1 Show InChI InChI=1S/C18H18N4O3/c23-11-7-8-15(19-10-11)21-18(25)20-13-5-3-4-12-16(13)14-6-1-2-9-22(14)17(12)24/h3-5,7-8,10,14,23H,1-2,6,9H2,(H2,19,20,21,25)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma-33P]-ATP after 30 mins by...				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50399302 (CHEMBL2180845) Show SMILES Oc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1 Show InChI InChI=1S/C18H18N4O3/c23-11-7-8-15(19-10-11)21-18(25)20-13-5-3-4-12-16(13)14-6-1-2-9-22(14)17(12)24/h3-5,7-8,10,14,23H,1-2,6,9H2,(H2,19,20,21,25)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair