BDBM50524532 CHEMBL4458096

SMILES: CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC(=O)C2)c1)-c1ccc(F)cc1

InChI Key: InChIKey=NOFDHRIZWLPUBW-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 = 50524532   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50524532 (CHEMBL4458096) Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC(=O)C2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O2S/c1-28-20-24-17(11-2-4-14(21)5-3-11)18(25-20)12-6-7-22-16(10-12)23-19(27)13-8-15(26)9-13/h2-7,10,13H,8-9H2,1H3,(H,24,25)(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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) using ATF-2 as substrate after 1 hr by ELISA				Eur J Med Chem 175: 309-329 (2019) Article DOI: 10.1016/j.ejmech.2019.04.035
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50524532 (CHEMBL4458096) Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC(=O)C2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O2S/c1-28-20-24-17(11-2-4-14(21)5-3-11)18(25-20)12-6-7-22-16(10-12)23-19(27)13-8-15(26)9-13/h2-7,10,13H,8-9H2,1H3,(H,24,25)(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 min...				Eur J Med Chem 175: 309-329 (2019) Article DOI: 10.1016/j.ejmech.2019.04.035
					More data for this Ligand-Target Pair