BDBM490096 US10968199, Example 17

SMILES: COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NC(=O)OC(F)(F)F

InChI Key: InChIKey=CJOQSBWZFYINMX-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 = 490096   

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))	BDBM490096 (US10968199, Example 17) Show SMILES COc1cc(C)c(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)C1CC1NC(=O)OC(F)(F)F Show InChI InChI=1S/C24H25F3N6O4/c1-12(2)33-11-28-32-21(33)17-6-5-7-20(29-17)31-22(34)16-9-14(13(3)8-19(16)36-4)15-10-18(15)30-23(35)37-24(25,26)27/h5-9,11-12,15,18H,10H2,1-4H3,(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	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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