BDBM50102919 CHEMBL3394097

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

InChI Key: InChIKey=QWWPWWKJOUHOAP-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 = 50102919   

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))	BDBM50102919 (CHEMBL3394097) Show SMILES CC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O2S/c1-12(26)11-28-20-24-18(14-4-6-16(21)7-5-14)19(25(20)3)15-8-9-22-17(10-15)23-13(2)27/h4-10H,11H2,1-3H3,(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA				J Med Chem 58: 443-56 (2015) Article DOI: 10.1021/jm501557a BindingDB Entry DOI: 10.7270/Q2RN39MX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50102919 (CHEMBL3394097) Show SMILES CC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O2S/c1-12(26)11-28-20-24-18(14-4-6-16(21)7-5-14)19(25(20)3)15-8-9-22-17(10-15)23-13(2)27/h4-10H,11H2,1-3H3,(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	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 JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA				J Med Chem 58: 443-56 (2015) Article DOI: 10.1021/jm501557a BindingDB Entry DOI: 10.7270/Q2RN39MX
					More data for this Ligand-Target Pair