BDBM311154 (S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methoxyphenyl)pyridin-2-yl)acetamide::US10155760, Example 2::US10351563, Example 2::US10544120, Example 2::US10723734, Example 2::US10981910, Example 2::US9902722, Example 2

SMILES: COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1

InChI Key: InChIKey=DKKCUFUUVDZUCP-KRWDZBQOSA-N

Data: 7 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 7 hits for monomerid = 311154   

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))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.				ACS Med Chem Lett 8: 595-597 (2017) Article DOI: 10.1021/acsmedchemlett.7b00208 BindingDB Entry DOI: 10.7270/Q2PR7ZD1
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM311154 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...) Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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