BDBM50524535 CHEMBL4437018

SMILES: Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CCCC2)c1

InChI Key: InChIKey=YRYHREVRGLXBSJ-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 = 50524535   

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))	BDBM50524535 (CHEMBL4437018) Show SMILES Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CCCC2)c1 Show InChI InChI=1S/C27H25FN4OS/c28-22-12-10-19(11-13-22)24-25(32-27(31-24)34-17-18-6-2-1-3-7-18)21-14-15-29-23(16-21)30-26(33)20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9,17H2,(H,31,32)(H,29,30,33)	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))	BDBM50524535 (CHEMBL4437018) Show SMILES Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CCCC2)c1 Show InChI InChI=1S/C27H25FN4OS/c28-22-12-10-19(11-13-22)24-25(32-27(31-24)34-17-18-6-2-1-3-7-18)21-14-15-29-23(16-21)30-26(33)20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9,17H2,(H,31,32)(H,29,30,33)	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	663	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