BDBM162321 US10307427, Compound 12::US9051313, 12

SMILES: O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCCC1)-n1cnc(c1)C1CC1

InChI Key: InChIKey=MPBCXZFLFOKYBG-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 = 162321   

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))	BDBM162321 (US10307427, Compound 12 | US9051313, 12) Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C25H27N9OS/c35-24(29-22-13-36-25(30-22)23-31-28-15-34(23)17-6-7-17)18-10-20(33-12-19(27-14-33)16-4-5-16)21(11-26-18)32-8-2-1-3-9-32/h10-17H,1-9H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2K64MD9
					More data for this Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1) (Homo sapiens (Human))	BDBM162321 (US10307427, Compound 12 | US9051313, 12) Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C25H27N9OS/c35-24(29-22-13-36-25(30-22)23-31-28-15-34(23)17-6-7-17)18-10-20(33-12-19(27-14-33)16-4-5-16)21(11-26-18)32-8-2-1-3-9-32/h10-17H,1-9H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair