BDBM490092 US10968199, Example 14

SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)C(C)(C)C)c(C)cc2F)n1

InChI Key: InChIKey=GPAXPAJQAMJICI-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 = 490092   

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))	BDBM490092 (US10968199, Example 14) Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)C(C)(C)C)c(C)cc2F)n1 Show InChI InChI=1S/C26H31FN6O2/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>10	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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