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SMILES: COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1

InChI Key: InChIKey=QUAPBONUOLGMAD-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 311356   

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))	BDBM311356 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 US10155760 (2018) BindingDB Entry DOI: 10.7270/Q2F191S4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311356 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					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...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q2930WGG
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311356 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM311356 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311356 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 Cl prepared from 15 μl additions of enzyme and substrates (...				US Patent US10723734 (2020)
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311356 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4,...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C21H30N4O3/c1-13(2)11-21(5,22)12-28-19-14(3)9-17(24-15(19)4)16-7-8-23-18(10-16)25-20(26)27-6/h7-10,13H,11-12,22H2,1-6H3,(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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