null

SMILES: CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)C#N)NC(=O)OC(C)(C)C

InChI Key: InChIKey=KYPPABUFZUNHDQ-NDEPHWFRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 406108   

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))	BDBM406108 ((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...) Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)C#N)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N3O3/c1-18(2)15-28(6,35-26(36)38-27(3,4)5)17-37-25-10-8-20(14-23(25)29(30,31)32)21-11-12-34-24-13-19(16-33)7-9-22(21)24/h7-14,18H,15,17H2,1-6H3,(H,35,36)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. 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 US10351563 (2019) BindingDB Entry DOI: 10.7270/Q2P55QWS
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM406108 ((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...) Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)C#N)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N3O3/c1-18(2)15-28(6,35-26(36)38-27(3,4)5)17-37-25-10-8-20(14-23(25)29(30,31)32)21-11-12-34-24-13-19(16-33)7-9-22(21)24/h7-14,18H,15,17H2,1-6H3,(H,35,36)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	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 US10981910 (2021)
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM406108 ((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...) Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)C#N)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C29H32F3N3O3/c1-18(2)15-28(6,35-26(36)38-27(3,4)5)17-37-25-10-8-20(14-23(25)29(30,31)32)21-11-12-34-24-13-19(16-33)7-9-22(21)24/h7-14,18H,15,17H2,1-6H3,(H,35,36)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	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