BDBM50102918 CHEMBL3394118

SMILES: CC(=O)Nc1cc(ccn1)-c1c(nc(Sc2cccc(I)n2)n1C1CCCCC1)-c1ccc(F)cc1

InChI Key: InChIKey=GCKKLKCOSMLACG-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 = 50102918   

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 10 (Homo sapiens (Human))	BDBM50102918 (CHEMBL3394118) Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(Sc2cccc(I)n2)n1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25FIN5OS/c1-17(35)31-23-16-19(14-15-30-23)26-25(18-10-12-20(28)13-11-18)33-27(34(26)21-6-3-2-4-7-21)36-24-9-5-8-22(29)32-24/h5,8-16,21H,2-4,6-7H2,1H3,(H,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+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 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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50102918 (CHEMBL3394118) Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(Sc2cccc(I)n2)n1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25FIN5OS/c1-17(35)31-23-16-19(14-15-30-23)26-25(18-10-12-20(28)13-11-18)33-27(34(26)21-6-3-2-4-7-21)36-24-9-5-8-22(29)32-24/h5,8-16,21H,2-4,6-7H2,1H3,(H,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	356	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