BDBM50503015 CHEMBL4457174

SMILES: Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1

InChI Key: InChIKey=BNOAPQWBXKBDLM-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 = 50503015   

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))	BDBM50503015 (CHEMBL4457174) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C20H19FN4O/c1-11-9-14(5-6-16(11)21)18-19(24-12(2)23-18)15-7-8-22-17(10-15)25-20(26)13-3-4-13/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,22,25,26)	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	117	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))	BDBM50503015 (CHEMBL4457174) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C20H19FN4O/c1-11-9-14(5-6-16(11)21)18-19(24-12(2)23-18)15-7-8-22-17(10-15)25-20(26)13-3-4-13/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,22,25,26)	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	7	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