Compile Data Set for Download or QSAR

Found 2181 hits of ic50 data for polymerid = 50003020   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM311218 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311218 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM427106 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1cccc2ncccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-12-11-19(14-22(24)18-9-10-18)20-6-4-8-23-21(20)7-5-13-27-23/h4-8,11-14,17-18H,9-10,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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))	BDBM311218 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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))	BDBM311218 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	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))	BDBM311218 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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))	BDBM311218 ((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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))	BDBM311290 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311290 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311290 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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))	BDBM311290 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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))	BDBM311290 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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))	BDBM311290 ((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O3/c1-12(2)9-19(3,24)11-30-16-10-26-15(8-14(16)20(21,22)23)13-5-6-25-17(7-13)27-18(28)29-4/h5-8,10,12H,9,11,24H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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))	BDBM311160 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H24ClN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311182 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C21H26F3N3O4/c1-13(2)11-20(3,25)12-30-16-6-5-14(9-17(16)31-21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311339 ((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311339 ((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311339 ((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM311339 ((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM311339 ((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM311339 ((S)-methyl (6-((2-amino-2,4-dimethylpentyl)oxy)-5-...) Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-18-15(17(21)22)7-14(10-25-18)13-5-6-24-16(8-13)26-19(27)28-4/h5-8,10,12,17H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM50502299 (CHEMBL4544854) Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc2ccnn12 |r| Show InChI InChI=1S/C20H24F2N4O/c1-13(2)11-20(3,23)12-27-17-5-4-14(10-15(17)19(21)22)16-6-8-24-18-7-9-25-26(16)18/h4-10,13,19H,11-12,23H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136 BindingDB Entry DOI: 10.7270/Q2CR5XMR
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	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))	BDBM311347 ((S)-1-((3-(difluoromethyl)-5-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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))	BDBM311289 ((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311289 ((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311289 ((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM311289 ((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM311289 ((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM311289 ((S)-2,4-dimethyl-1-((6-(quinolin-4-yl)-4-(trifluor...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-14(2)11-21(3,26)13-29-20-12-28-19(10-17(20)22(23,24)25)16-8-9-27-18-7-5-4-6-15(16)18/h4-10,12,14H,11,13,26H2,1-3H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM311338 ((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311338 ((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311338 ((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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))	BDBM311338 ((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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))	BDBM311338 ((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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))	BDBM311338 ((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...) Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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))	BDBM311155 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311265 ((S)-1-((4-(difluoromethyl)-6-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-20-12-27-19(10-17(20)21(23)24)16-8-9-26-18-7-5-4-6-15(16)18/h4-10,12,14,21H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM311265 ((S)-1-((4-(difluoromethyl)-6-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-20-12-27-19(10-17(20)21(23)24)16-8-9-26-18-7-5-4-6-15(16)18/h4-10,12,14,21H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311265 ((S)-1-((4-(difluoromethyl)-6-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-20-12-27-19(10-17(20)21(23)24)16-8-9-26-18-7-5-4-6-15(16)18/h4-10,12,14,21H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311155 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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) BindingDB Entry DOI: 10.7270/Q2CF9T6J
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM427291 ((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...) Show SMILES CC(C)C[C@@](C)(COc1ccc(cc1C(F)(F)F)-c1ccnc(N)c1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C24H32F3N3O3/c1-15(2)13-23(6,30-21(31)33-22(3,4)5)14-32-19-8-7-16(11-18(19)24(25,26)27)17-9-10-29-20(28)12-17/h7-12,15H,13-14H2,1-6H3,(H2,28,29)(H,30,31)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM311155 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136 BindingDB Entry DOI: 10.7270/Q2CR5XMR
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311155 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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) BindingDB Entry DOI: 10.7270/Q2Z60S4P
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311265 ((S)-1-((4-(difluoromethyl)-6-(quinolin-4-yl)pyridi...) Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc2ccccc12 |r| Show InChI InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-20-12-27-19(10-17(20)21(23)24)16-8-9-26-18-7-5-4-6-15(16)18/h4-10,12,14,21H,11,13,25H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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

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