BDBM50524508 CHEMBL4592870

SMILES: COc1cccc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)c1

InChI Key: InChIKey=PGIQQBZIZOOVDG-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 = 50524508   

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))	BDBM50524508 (CHEMBL4592870) Show SMILES COc1cccc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H23FN4O2S/c1-32-20-5-3-4-16(14-20)6-11-22(31)28-21-15-18(12-13-27-21)24-23(29-25(30-24)33-2)17-7-9-19(26)10-8-17/h3-5,7-10,12-15H,6,11H2,1-2H3,(H,29,30)(H,27,28,31)	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	471	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50524508 (CHEMBL4592870) Show SMILES COc1cccc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H23FN4O2S/c1-32-20-5-3-4-16(14-20)6-11-22(31)28-21-15-18(12-13-27-21)24-23(29-25(30-24)33-2)17-7-9-19(26)10-8-17/h3-5,7-10,12-15H,6,11H2,1-2H3,(H,29,30)(H,27,28,31)	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	36	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