BDBM50130648 CHEMBL432798::N-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide

SMILES: CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1

InChI Key: InChIKey=CJKGORBZVWDVRY-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50130648   

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))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tu£bingen Curated by ChEMBL					Assay Description Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay				J Med Chem 54: 3283-97 (2011) Article DOI: 10.1021/jm101623p BindingDB Entry DOI: 10.7270/Q2W959H4
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibitory activity against TNF-alpha release in PBM cells				J Med Chem 46: 3230-44 (2003)
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibition of p38-related TNF-alpha release by whole blood cells at 10 e-4 to 10 e-8 M				J Med Chem 46: 3230-44 (2003)
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
c-a-i-r biosciences GmbH Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp method				J Med Chem 60: 5290-5305 (2017)
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibitory activity against induction of IL-1-beta release in PBMCs				J Med Chem 46: 3230-44 (2003)
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10 e-8 M concentration				J Med Chem 46: 3230-44 (2003)
					More data for this Ligand-Target Pair
MAP kinase p38 (Homo sapiens (Human))	BDBM50130648 (CHEMBL432798 | N-{4-[5-(4-Fluoro-phenyl)-3-methyl-...) Show SMILES CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibition of p38-related IL1-beta release by whole blood cells at 10 e-4 to 10 e-8 M				J Med Chem 46: 3230-44 (2003)
					More data for this Ligand-Target Pair