BDBM50502993 CHEMBL4439815

SMILES: NC(=O)c1ncc([nH]1)-c1cc(NC(=O)C2CC2)ncc1Br

InChI Key: InChIKey=XZSWXQNWQOSVTK-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 = 50502993   

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 beta (Homo sapiens (Human))	BDBM50502993 (CHEMBL4439815) Show SMILES NC(=O)c1ncc([nH]1)-c1cc(NC(=O)C2CC2)ncc1Br Show InChI InChI=1S/C13H12BrN5O2/c14-8-4-16-10(19-13(21)6-1-2-6)3-7(8)9-5-17-12(18-9)11(15)20/h3-6H,1-2H2,(H2,15,20)(H,17,18)(H,16,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50502993 (CHEMBL4439815) Show SMILES NC(=O)c1ncc([nH]1)-c1cc(NC(=O)C2CC2)ncc1Br Show InChI InChI=1S/C13H12BrN5O2/c14-8-4-16-10(19-13(21)6-1-2-6)3-7(8)9-5-17-12(18-9)11(15)20/h3-6H,1-2H2,(H2,15,20)(H,17,18)(H,16,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177
					More data for this Ligand-Target Pair