BDBM490109 US10968199, Example 25

SMILES: C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OCC(F)(F)F)c(C)cc2F)n1

InChI Key: InChIKey=YUQSZIMKNCMECG-VZDIAYEVSA-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 = 490109   

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))	BDBM490109 (US10968199, Example 25) Show SMILES C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(C3CC3NC(=O)OCC(F)(F)F)c(C)cc2F)n1 |r| Show InChI InChI=1S/C24H24F4N6O4/c1-12-6-17(25)16(7-14(12)15-8-19(15)31-23(37)38-10-24(26,27)28)22(36)32-20-5-3-4-18(30-20)21-33-29-11-34(21)13(2)9-35/h3-7,11,13,15,19,35H,8-10H2,1-2H3,(H,31,37)(H,30,32,36)/t13-,15?,19?/m1/s1	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)
					More data for this Ligand-Target Pair