BDBM50212285 CHEMBL3891901

SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc(C)cc2F)n1

InChI Key: InChIKey=VUSYIHKIJXJZMS-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 = 50212285   

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 kinase kinase 5 (Homo sapiens (Human))	BDBM50212285 (CHEMBL3891901) Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc(C)cc2F)n1 Show InChI InChI=1S/C18H18FN5O/c1-11(2)24-10-20-23-17(24)15-5-4-6-16(21-15)22-18(25)13-8-7-12(3)9-14(13)19/h4-11H,1-3H3,(H,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50212285 (CHEMBL3891901) Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc(C)cc2F)n1 Show InChI InChI=1S/C18H18FN5O/c1-11(2)24-10-20-23-17(24)15-5-4-6-16(21-15)22-18(25)13-8-7-12(3)9-14(13)19/h4-11H,1-3H3,(H,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ...				ACS Med Chem Lett 8: 316-320 (2017) Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV
					More data for this Ligand-Target Pair