BDBM427320 (S)-2,4-dimethyl-1-(2-methyl-4-(2-(trifluoromethyl)pyrimidin-4-yl)phenoxy)pentan-2-amine::US10544120, Example 330

SMILES: CC(C)C[C@@](C)(COc1ccc(cc1C)-c1ccnc(n1)C(F)(F)F)NC(=O)OC(C)(C)C

InChI Key: InChIKey=JBSIDAOHQJUDKU-QHCPKHFHSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 427320   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM427320 ((S)-2,4-dimethyl-1-(2-methyl-4-(2-(trifluoromethyl...) Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C)-c1ccnc(n1)C(F)(F)F)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C24H32F3N3O3/c1-15(2)13-23(7,30-21(31)33-22(4,5)6)14-32-19-9-8-17(12-16(19)3)18-10-11-28-20(29-18)24(25,26)27/h8-12,15H,13-14H2,1-7H3,(H,30,31)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10544120 (2020) BindingDB Entry DOI: 10.7270/Q2RF5XCX
					More data for this Ligand-Target Pair