BDBM50399304 CHEMBL2180843

SMILES: O=C(Nc1ccc(cn1)-c1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12

InChI Key: InChIKey=PKRTVNCJTKPZEP-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 = 50399304   

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))	BDBM50399304 (CHEMBL2180843) Show SMILES O=C(Nc1ccc(cn1)-c1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C24H22N4O2/c29-23-18-9-6-10-19(22(18)20-11-4-5-14-28(20)23)26-24(30)27-21-13-12-17(15-25-21)16-7-2-1-3-8-16/h1-3,6-10,12-13,15,20H,4-5,11,14H2,(H2,25,26,27,30)	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))	BDBM50399304 (CHEMBL2180843) Show SMILES O=C(Nc1ccc(cn1)-c1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C24H22N4O2/c29-23-18-9-6-10-19(22(18)20-11-4-5-14-28(20)23)26-24(30)27-21-13-12-17(15-25-21)16-7-2-1-3-8-16/h1-3,6-10,12-13,15,20H,4-5,11,14H2,(H2,25,26,27,30)	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	4.00E+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