BDBM50524512 CHEMBL4589431

SMILES: C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

InChI Key: InChIKey=SMGQLITWTGOAAG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50524512   

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))	BDBM50524512 (CHEMBL4589431) Show SMILES C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2S/c1-27(26)19-23-16(11-4-6-14(20)7-5-11)17(24-19)13-8-9-21-15(10-13)22-18(25)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24)(H,21,22,25)	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	236	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
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50524512 (CHEMBL4589431) Show SMILES C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2S/c1-27(26)19-23-16(11-4-6-14(20)7-5-11)17(24-19)13-8-9-21-15(10-13)22-18(25)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24)(H,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	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 human recombinant full length GSK3alpha using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 mins followed ...				Eur J Med Chem 175: 309-329 (2019) Article DOI: 10.1016/j.ejmech.2019.04.035
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50524512 (CHEMBL4589431) Show SMILES C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2S/c1-27(26)19-23-16(11-4-6-14(20)7-5-11)17(24-19)13-8-9-21-15(10-13)22-18(25)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24)(H,21,22,25)	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	44	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