BDBM490085 US10968199, Example 10

SMILES: CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OC(C)(C)C)c(C)cc2F)n1

InChI Key: InChIKey=KHYVBFVKMVZHAP-UHFFFAOYSA-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 = 490085   

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))	BDBM490085 (US10968199, Example 10) Show SMILES CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OC(C)(C)C)c(C)cc2F)n1 Show InChI InChI=1S/C25H30FN7O3/c1-13(2)33-22(30-31-32-33)19-8-7-9-21(27-19)29-23(34)17-11-15(14(3)10-18(17)26)16-12-20(16)28-24(35)36-25(4,5)6/h7-11,13,16,20H,12H2,1-6H3,(H,28,35)(H,27,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals, Inc. US Patent					Assay Description ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF® KinEASE™ Assay System was obtained f...				US Patent US10968199 (2021)
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