BDBM162316 US9051313, 7

SMILES: C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F

InChI Key: InChIKey=NXORGDZYJJFVBX-ZDUSSCGKSA-N

Data: 1 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 1 hit for monomerid = 162316   

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
Apoptosis Signal-regulating Kinase 1 (ASK1) (Homo sapiens (Human))	BDBM162316 (US9051313, 7) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N9OS/c1-13(23(24,25)26)35-12-29-32-20(35)22-31-19(10-37-22)30-21(36)15-7-17(18(8-27-15)33-5-2-6-33)34-9-16(28-11-34)14-3-4-14/h7-14H,2-6H2,1H3,(H,30,36)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	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