BDBM50524533 CHEMBL4566059

SMILES: CSc1nc(c([nH]1)-c1ccnc(NC(=O)CN2CCCC2=O)c1)-c1ccc(F)cc1

InChI Key: InChIKey=QSTPCOZRCXVIBD-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 = 50524533   

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))	BDBM50524533 (CHEMBL4566059) Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)CN2CCCC2=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN5O2S/c1-30-21-25-19(13-4-6-15(22)7-5-13)20(26-21)14-8-9-23-16(11-14)24-17(28)12-27-10-2-3-18(27)29/h4-9,11H,2-3,10,12H2,1H3,(H,25,26)(H,23,24,28)	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	23	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))	BDBM50524533 (CHEMBL4566059) Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)CN2CCCC2=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN5O2S/c1-30-21-25-19(13-4-6-15(22)7-5-13)20(26-21)14-8-9-23-16(11-14)24-17(28)12-27-10-2-3-18(27)29/h4-9,11H,2-3,10,12H2,1H3,(H,25,26)(H,23,24,28)	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	126	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