Compile Data Set for Download or QSAR

Found 514 hits Enz. Inhib. hit(s) with all data for entry = 192   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210188 (US9546153, ex. 308) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CC1 |r| Show InChI InChI=1S/C20H23FN6O2S/c1-20(2,29)15(21)9-23-18(28)12-8-22-17(7-14(12)25-11-3-4-11)26-16-6-5-13-19(27-16)30-10-24-13/h5-8,10-11,15,29H,3-4,9H2,1-2H3,(H,23,28)(H2,22,25,26,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210606 (US9546153, ex. 455) Show SMILES CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H24F2N6O2S/c1-10(2)26-13-6-16(27-17-12(21)5-14-19(28-17)31-9-25-14)23-7-11(13)18(29)24-8-15(22)20(3,4)30/h5-7,9-10,15,30H,8H2,1-4H3,(H,24,29)(H2,23,26,27,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210200 (US9546153, ex. 312) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r| Show InChI InChI=1S/C22H27FN6O3S/c1-22(2,31)17(23)11-25-20(30)14-10-24-19(9-16(14)27-13-5-7-32-8-6-13)28-18-4-3-15-21(29-18)33-12-26-15/h3-4,9-10,12-13,17,31H,5-8,11H2,1-2H3,(H,25,30)(H2,24,27,28,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210152 (US9546153, ex. 288) Show SMILES CC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C21H26F2N6O2/c1-12(2)27-16-8-19(28-13-5-6-29-17(7-13)15(22)10-26-29)24-9-14(16)20(30)25-11-18(23)21(3,4)31/h5-10,12,18,31H,11H2,1-4H3,(H,25,30)(H2,24,27,28)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209424 (US9546153, ex. 116 | US9546153, ex. 117 | US954615...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCC1F |r| Show InChI InChI=1S/C24H29F2N5O2S/c1-24(2,33)21(26)12-29-23(32)16-11-28-22(9-19(16)27-10-14-4-3-5-17(14)25)31-15-6-7-18-20(8-15)34-13-30-18/h6-9,11,13-14,17,21,33H,3-5,10,12H2,1-2H3,(H,29,32)(H2,27,28,31)/t14?,17?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210143 (US9546153, ex. 280 | US9546153, ex. 281) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC(F)C1 |r| Show InChI InChI=1S/C22H27F2N7O2/c1-22(2,33)17(24)12-27-21(32)15-11-26-19(10-16(15)28-14-4-3-13(23)9-14)29-18-5-6-20-25-7-8-31(20)30-18/h5-8,10-11,13-14,17,33H,3-4,9,12H2,1-2H3,(H,27,32)(H2,26,28,29,30)/t13?,14?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210426 (US9546153, ex. 417 | US9546153, ex. 418) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1F |r| Show InChI InChI=1S/C22H26F2N6O3S/c1-22(2,32)17(24)9-26-20(31)12-8-25-19(7-16(12)28-14-5-6-33-10-13(14)23)29-18-4-3-15-21(30-18)34-11-27-15/h3-4,7-8,11,13-14,17,32H,5-6,9-10H2,1-2H3,(H,26,31)(H2,25,28,29,30)/t13?,14?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210584 (US9546153, ex. 449) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1NC(C)C |r,wU:5.8,wD:2.1,(-9.85,1.15,;-8.52,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-3.19,-1.15,;-1.85,-.38,;-1.85,1.15,;-.52,-1.15,;-.52,-2.69,;.82,-3.47,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;2.15,-1.15,;.82,-.38,;.82,1.15,;2.15,1.93,;2.15,3.47,;3.48,1.15,)| Show InChI InChI=1S/C23H29N5O3/c1-14(2)26-20-11-22(27-16-6-9-19-21(10-16)31-13-25-19)24-12-18(20)23(29)28-15-4-7-17(30-3)8-5-15/h6,9-15,17H,4-5,7-8H2,1-3H3,(H,28,29)(H2,24,26,27)/t15-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209419 (US9546153, ex. 111) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nc(O)sc3c2)cc1NC1CC1 |r| Show InChI InChI=1S/C21H24FN5O3S/c1-21(2,30)17(22)10-24-19(28)13-9-23-18(8-15(13)25-11-3-4-11)26-12-5-6-14-16(7-12)31-20(29)27-14/h5-9,11,17,30H,3-4,10H2,1-2H3,(H,24,28)(H,27,29)(H2,23,25,26)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210443 (US9546153, ex. 427) Show SMILES CC(C)Nc1cc(Nc2ccc3ncc(F)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C22H26F2N6O2/c1-12(2)28-16-8-20(26-10-14(16)21(31)27-11-18(24)22(3,4)32)30-19-6-5-15-17(29-19)7-13(23)9-25-15/h5-10,12,18,32H,11H2,1-4H3,(H,27,31)(H2,26,28,29,30)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040792 (CHEMBL3353195 | US9546153, ex. 510) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(22.85,-1.69,;24.18,-2.47,;25.52,-1.7,;25.52,-.16,;26.85,-2.47,;28.19,-1.71,;29.51,-2.48,;29.51,-4.03,;28.18,-4.79,;26.85,-4.02,;30.84,-4.8,;32.18,-4.03,;32.18,-2.49,;33.51,-4.8,;33.51,-6.34,;34.84,-7.11,;36.18,-6.34,;37.51,-7.11,;38.85,-6.34,;38.84,-4.8,;40.16,-4.03,;41.5,-4.79,;42.97,-4.31,;43.88,-5.56,;42.98,-6.81,;41.5,-6.34,;40.18,-7.11,;36.17,-4.79,;34.84,-4.03,;34.83,-2.49,;36.17,-1.71,;37.51,-2.49,;38.83,-1.72,;38.84,-.18,;37.5,.59,;36.16,-.18,)| Show InChI InChI=1S/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210715 (US9546153, ex. 503) Show SMILES CC(C)(O)C1CCC(CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |(-9.85,1.16,;-8.52,1.93,;-8.52,3.47,;-9.85,2.7,;-7.19,1.15,;-5.85,1.92,;-4.52,1.15,;-4.52,-.39,;-5.85,-1.15,;-7.19,-.39,;-3.19,-1.16,;-1.85,-.39,;-1.85,1.15,;-.52,-1.16,;-.52,-2.7,;.82,-3.47,;2.15,-2.7,;3.48,-3.47,;4.82,-2.7,;6.15,-3.47,;7.48,-2.7,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.16,;6.15,-.38,;4.82,-1.16,;3.48,-.39,;2.15,-1.16,;.82,-.39,;.82,1.15,;2.15,1.92,;3.69,1.92,;2.92,3.26,)| Show InChI InChI=1S/C24H30FN7O2/c1-24(2,34)14-3-5-16(6-4-14)29-23(33)17-12-26-20(11-19(17)28-15-7-8-15)30-22-18(25)13-32-21(31-22)9-10-27-32/h9-16,34H,3-8H2,1-2H3,(H,29,33)(H2,26,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209434 (US9546153, ex. 126) Show SMILES CC(C)(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C22H27F2N5O2S/c1-21(2,24)11-27-16-8-19(29-13-5-6-15-17(7-13)32-12-28-15)25-9-14(16)20(30)26-10-18(23)22(3,4)31/h5-9,12,18,31H,10-11H2,1-4H3,(H,26,30)(H2,25,27,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM211130 (US9546153, ex. 525) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O |(2.97,.16,;1.63,.93,;1.63,2.47,;.3,.16,;.3,-1.38,;1.63,-2.15,;1.63,-3.69,;2.97,-4.46,;4.3,-3.69,;4.3,-2.15,;5.63,-1.38,;6.97,-2.15,;8.43,-1.68,;9.34,-2.92,;8.43,-4.17,;6.97,-3.69,;5.63,-4.46,;.3,-4.46,;-1.03,-3.69,;-1.03,-2.15,;-2.37,-1.38,;-2.37,.16,;-3.7,-2.15,;-4.79,-1.06,;-6.28,-1.46,;-7.37,-.37,;-6.97,1.11,;-5.48,1.51,;-4.39,.42,;-6.97,2.65,;-8.43,3.13,;-9.2,4.46,;-9.34,1.88,;-8.43,.64,;-9.2,-.7,)| Show InChI InChI=1S/C24H27N7O3S/c1-13(2)27-18-10-20(28-15-3-4-17-19(9-15)35-12-26-17)25-11-16(18)21(32)29-14-5-7-24(8-6-14)22(33)30-23(34)31-24/h3-4,9-14H,5-8H2,1-2H3,(H,29,32)(H2,25,27,28)(H2,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210647 (US9546153, ex. 473 | US9546153, ex. 474) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCOC1 |r| Show InChI InChI=1S/C22H26F2N6O3S/c1-22(2,32)17(24)9-26-20(31)13-8-25-18(7-15(13)28-12-4-3-5-33-10-12)29-19-14(23)6-16-21(30-19)34-11-27-16/h6-8,11-12,17,32H,3-5,9-10H2,1-2H3,(H,26,31)(H2,25,28,29,30)/t12?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210462 (US9546153, ex. 430) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1 |r| Show InChI InChI=1S/C24H29FN6O3/c1-24(2,33)20(25)14-28-23(32)16-13-27-22(12-19(16)29-15-7-10-34-11-8-15)31-21-6-5-17-18(30-21)4-3-9-26-17/h3-6,9,12-13,15,20,33H,7-8,10-11,14H2,1-2H3,(H,28,32)(H2,27,29,30,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210607 (US9546153, ex. 456) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.47,;2.15,1.93,;3.48,1.15,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.15,;-7.19,2.69,;-8.52,3.47,)| Show InChI InChI=1S/C25H33N5O2S/c1-15(2)28-21-12-23(29-18-9-10-20-22(11-18)33-14-27-20)26-13-19(21)24(31)30-17-7-5-16(6-8-17)25(3,4)32/h9-17,32H,5-8H2,1-4H3,(H,30,31)(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210207 (US9546153, ex. 317) Show SMILES CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(C)(C)F |r| Show InChI InChI=1S/C24H31F2N5O2S/c1-5-24(33,6-2)20(25)12-28-22(32)16-11-27-21(10-18(16)29-13-23(3,4)26)31-15-7-8-17-19(9-15)34-14-30-17/h7-11,14,20,33H,5-6,12-13H2,1-4H3,(H,28,32)(H2,27,29,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209939 (US9546153, ex. 207) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)| Show InChI InChI=1S/C28H31N7O2S/c1-17(2)32-24-14-26(33-21-7-8-23-25(13-21)38-16-31-23)30-15-22(24)28(37)35-20-5-3-19(4-6-20)34-27(36)18-9-11-29-12-10-18/h7-17,19-20H,3-6H2,1-2H3,(H,34,36)(H,35,37)(H2,30,32,33)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210622 (US9546153, ex. 461 | US9546153, ex. 462) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCC1F |r| Show InChI InChI=1S/C22H25F3N6O2S/c1-22(2,33)17(25)9-27-20(32)11-8-26-18(7-15(11)29-14-5-3-4-12(14)23)30-19-13(24)6-16-21(31-19)34-10-28-16/h6-8,10,12,14,17,33H,3-5,9H2,1-2H3,(H,27,32)(H2,26,29,30,31)/t12?,14?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209629 (US9546153, ex. 177) Show SMILES CC(C)NC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r| Show InChI InChI=1S/C24H33N7O2S/c1-14(2)28-20-11-22(31-17-6-7-19-21(10-17)34-13-27-19)26-12-18(20)23(32)25-9-8-16(5)30-24(33)29-15(3)4/h6-7,10-16H,8-9H2,1-5H3,(H,25,32)(H2,26,28,31)(H2,29,30,33)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209995 (US9546153, ex. 235) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1COCCC1F |r| Show InChI InChI=1S/C23H27F2N5O3S/c1-23(2,32)20(25)10-27-22(31)14-9-26-21(8-17(14)30-18-11-33-6-5-15(18)24)29-13-3-4-16-19(7-13)34-12-28-16/h3-4,7-9,12,15,18,20,32H,5-6,10-11H2,1-2H3,(H,27,31)(H2,26,29,30)/t15?,18?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210162 (US9546153, ex. 293 | US9546153, ex. 299) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCC(F)(F)C1 |r| Show InChI InChI=1S/C23H27F3N6O2/c1-22(2,34)19(24)13-28-21(33)17-12-27-20(10-18(17)30-15-3-6-23(25,26)11-15)31-14-5-8-32-16(9-14)4-7-29-32/h4-5,7-10,12,15,19,34H,3,6,11,13H2,1-2H3,(H,28,33)(H2,27,30,31)/t15?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210585 (US9546153, ex. 450 | US9546153, ex. 451) Show SMILES CC(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C21H25F2N5O2S/c1-12(22)8-24-16-7-19(28-13-4-5-15-17(6-13)31-11-27-15)25-9-14(16)20(29)26-10-18(23)21(2,3)30/h4-7,9,11-12,18,30H,8,10H2,1-3H3,(H,26,29)(H2,24,25,28)/t12?,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209937 (US9546153, ex. 205) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)| Show InChI InChI=1S/C27H35N7O3S/c1-17(2)30-23-14-25(31-20-7-8-22-24(13-20)38-16-29-22)28-15-21(23)26(35)32-18-3-5-19(6-4-18)33-27(36)34-9-11-37-12-10-34/h7-8,13-19H,3-6,9-12H2,1-2H3,(H,32,35)(H,33,36)(H2,28,30,31)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210254 (US9546153, ex. 343 | US9546153, ex. 344) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCCC1F |r| Show InChI InChI=1S/C23H27F2N5O2S/c1-23(2,32)20(25)11-27-22(31)14-10-26-21(9-18(14)30-16-5-3-4-15(16)24)29-13-6-7-17-19(8-13)33-12-28-17/h6-10,12,15-16,20,32H,3-5,11H2,1-2H3,(H,27,31)(H2,26,29,30)/t15?,16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM211104 (US9546153, ex. 514) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)| Show InChI InChI=1S/C25H31N7O3S/c1-15(33)28-16-2-4-17(5-3-16)30-24(34)19-13-26-23(12-21(19)29-18-8-10-35-11-9-18)31-22-7-6-20-25(32-22)36-14-27-20/h6-7,12-14,16-18H,2-5,8-11H2,1H3,(H,28,33)(H,30,34)(H2,26,29,31,32)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210061 (US9546153, ex. 242 | US9546153, ex. 258 | US954615...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC(F)(F)C1 |r| Show InChI InChI=1S/C22H26F3N7O2/c1-21(2,34)16(23)12-27-20(33)14-11-26-18(9-15(14)29-13-3-6-22(24,25)10-13)30-17-5-8-32-19(31-17)4-7-28-32/h4-5,7-9,11,13,16,34H,3,6,10,12H2,1-2H3,(H,27,33)(H2,26,29,30,31)/t13?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210162 (US9546153, ex. 293 | US9546153, ex. 299) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCC(F)(F)C1 |r| Show InChI InChI=1S/C23H27F3N6O2/c1-22(2,34)19(24)13-28-21(33)17-12-27-20(10-18(17)30-15-3-6-23(25,26)11-15)31-14-5-8-32-16(9-14)4-7-29-32/h4-5,7-10,12,15,19,34H,3,6,11,13H2,1-2H3,(H,28,33)(H2,27,30,31)/t15?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210546 (US9546153, ex. 441) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCCC1(F)F |r| Show InChI InChI=1S/C25H26F3N7O2/c1-24(2,37)19(26)13-32-23(36)15-12-31-22(9-17(15)33-20-4-3-7-25(20,27)28)35-21-6-5-16-18(34-21)8-14(10-29)11-30-16/h5-6,8-9,11-12,19-20,37H,3-4,7,13H2,1-2H3,(H,32,36)(H2,31,33,34,35)/t19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210425 (US9546153, ex. 416) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ncc(CO)s1 |r| Show InChI InChI=1S/C22H23FN6O3S2/c1-22(2,32)18(23)9-25-20(31)14-8-24-19(6-16(14)29-21-26-7-13(10-30)34-21)28-12-3-4-15-17(5-12)33-11-27-15/h3-8,11,18,30,32H,9-10H2,1-2H3,(H,25,31)(H2,24,26,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210197 (US9546153, ex. 310) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NCC(F)(F)F |r| Show InChI InChI=1S/C19H20F4N6O2S/c1-18(2,31)13(20)7-25-16(30)10-6-24-15(5-12(10)26-8-19(21,22)23)28-14-4-3-11-17(29-14)32-9-27-11/h3-6,9,13,31H,7-8H2,1-2H3,(H,25,30)(H2,24,26,28,29)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209445 (US9546153, ex. 137 | US9546153, ex. 138) Show SMILES CCC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C22H28FN5O2S/c1-5-13(2)27-17-9-20(28-14-6-7-16-18(8-14)31-12-26-16)24-10-15(17)21(29)25-11-19(23)22(3,4)30/h6-10,12-13,19,30H,5,11H2,1-4H3,(H,25,29)(H2,24,27,28)/t13?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209411 (US9546153, ex. 104 | US9546153, ex. 105) Show SMILES CC1CCCC1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C24H30FN5O2S/c1-14-5-4-6-17(14)30-19-10-22(29-15-7-8-18-20(9-15)33-13-28-18)26-11-16(19)23(31)27-12-21(25)24(2,3)32/h7-11,13-14,17,21,32H,4-6,12H2,1-3H3,(H,27,31)(H2,26,29,30)/t14?,17?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209379 (US9546153, ex. 95) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC2CCC1C2 |r,TLB:27:28:32.31:34| Show InChI InChI=1S/C26H31FN6O2/c1-26(2,35)23(27)14-31-25(34)18-13-30-24(12-21(18)33-20-10-15-3-4-16(20)9-15)32-17-5-6-19-22(11-17)29-8-7-28-19/h5-8,11-13,15-16,20,23,35H,3-4,9-10,14H2,1-2H3,(H,31,34)(H2,30,32,33)/t15?,16?,20?,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210192 (US9546153, ex. 309) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25FN6O2S/c1-11(2)25-14-7-17(26-16-6-5-13-19(27-16)30-10-24-13)22-8-12(14)18(28)23-9-15(21)20(3,4)29/h5-8,10-11,15,29H,9H2,1-4H3,(H,23,28)(H2,22,25,26,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210063 (US9546153, ex. 244) Show SMILES CC(C)Nc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-17(27-16-5-6-29-18(28-16)13(21)9-25-29)23-8-12(14)19(30)24-10-15(22)20(3,4)31/h5-9,11,15,31H,10H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210061 (US9546153, ex. 242 | US9546153, ex. 258 | US954615...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC(F)(F)C1 |r| Show InChI InChI=1S/C22H26F3N7O2/c1-21(2,34)16(23)12-27-20(33)14-11-26-18(9-15(14)29-13-3-6-22(24,25)10-13)30-17-5-8-32-19(31-17)4-7-28-32/h4-5,7-9,11,13,16,34H,3,6,10,12H2,1-2H3,(H,27,33)(H2,26,29,30,31)/t13?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209636 (US9546153, ex. 184) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)C1CCCC1 |r| Show InChI InChI=1S/C26H34N6O2S/c1-16(2)30-22-13-24(32-19-8-9-21-23(12-19)35-15-29-21)28-14-20(22)26(34)27-11-10-17(3)31-25(33)18-6-4-5-7-18/h8-9,12-18H,4-7,10-11H2,1-3H3,(H,27,34)(H,31,33)(H2,28,30,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210610 (US9546153, ex. 458) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCC(CC1)C(C)(C)O |r,wU:4.4,(-9.19,-2.31,;-7.85,-1.54,;-6.52,-.77,;-7.85,,;-6.52,-2.31,;-6.52,-3.85,;-5.19,-1.54,;-3.85,-2.31,;-2.52,-1.54,;-2.52,,;-1.18,-2.31,;-1.18,-3.85,;.15,-4.62,;1.48,-3.85,;2.82,-4.62,;4.15,-3.85,;5.48,-4.62,;6.82,-3.85,;8.28,-4.33,;9.19,-3.08,;8.28,-1.83,;6.82,-2.31,;5.48,-1.54,;4.15,-2.31,;2.82,-1.54,;1.48,-2.31,;.15,-1.54,;.15,,;1.48,.77,;2.82,,;4.15,.77,;4.15,2.31,;2.82,3.08,;1.48,2.31,;5.48,3.08,;6.82,2.31,;5.48,4.62,;6.82,3.85,)| Show InChI InChI=1S/C26H34F2N6O3S/c1-25(2,36)14-5-7-15(8-6-14)32-18-10-21(33-22-17(27)9-19-24(34-22)38-13-31-19)29-11-16(18)23(35)30-12-20(28)26(3,4)37/h9-11,13-15,20,36-37H,5-8,12H2,1-4H3,(H,30,35)(H2,29,32,33,34)/t14?,15?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210405 (US9546153, ex. 408 | US9546153, ex. 409 | US954615...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCC(F)C1 |r| Show InChI InChI=1S/C22H26F3N7O2/c1-22(2,34)17(25)10-27-21(33)14-9-26-18(8-16(14)29-13-4-3-12(23)7-13)30-20-15(24)11-32-19(31-20)5-6-28-32/h5-6,8-9,11-13,17,34H,3-4,7,10H2,1-2H3,(H,27,33)(H2,26,29,30,31)/t12?,13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209444 (US9546153, ex. 136) Show SMILES CC(F)(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C21H24F3N5O2S/c1-20(2,31)17(22)9-26-19(30)13-8-25-18(7-15(13)27-10-21(3,23)24)29-12-4-5-14-16(6-12)32-11-28-14/h4-8,11,17,31H,9-10H2,1-3H3,(H,26,30)(H2,25,27,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209441 (US9546153, ex. 133) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(O)(CC1)C2 |r| Show InChI InChI=1S/C25H30FN5O3S/c1-23(2,33)20(26)12-28-22(32)16-11-27-21(30-15-3-4-17-19(9-15)35-14-29-17)10-18(16)31-24-5-7-25(34,13-24)8-6-24/h3-4,9-11,14,20,33-34H,5-8,12-13H2,1-2H3,(H,28,32)(H2,27,30,31)/t20-,24?,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210622 (US9546153, ex. 461 | US9546153, ex. 462) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCC1F |r| Show InChI InChI=1S/C22H25F3N6O2S/c1-22(2,33)17(25)9-27-20(32)11-8-26-18(7-15(11)29-14-5-3-4-12(14)23)30-19-13(24)6-16-21(31-19)34-10-28-16/h6-8,10,12,14,17,33H,3-5,9H2,1-2H3,(H,27,32)(H2,26,29,30,31)/t12?,14?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210449 (US9546153, ex. 428) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(F)cc3n2)cc1NC1CCOCC1 |r| Show InChI InChI=1S/C24H28F2N6O3/c1-24(2,34)20(26)13-29-23(33)16-12-28-22(10-18(16)30-15-5-7-35-8-6-15)32-21-4-3-17-19(31-21)9-14(25)11-27-17/h3-4,9-12,15,20,34H,5-8,13H2,1-2H3,(H,29,33)(H2,28,30,31,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210576 (US9546153, ex. 447 | US9546153, ex. 448) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1NC1CCC(F)C1 |r| Show InChI InChI=1S/C23H27F2N7O2/c1-23(2,34)19(25)12-28-21(33)15-10-27-20(9-17(15)30-14-6-5-13(24)8-14)32-22-29-11-18-16(31-22)4-3-7-26-18/h3-4,7,9-11,13-14,19,34H,5-6,8,12H2,1-2H3,(H,28,33)(H2,27,29,30,31,32)/t13?,14?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM210633 (US9546153, ex. 467) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CC1 |r| Show InChI InChI=1S/C20H22F2N6O2S/c1-20(2,30)15(22)8-24-18(29)11-7-23-16(6-13(11)26-10-3-4-10)27-17-12(21)5-14-19(28-17)31-9-25-14/h5-7,9-10,15,30H,3-4,8H2,1-2H3,(H,24,29)(H2,23,26,27,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209429 (US9546153, ex. 121) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(F)(F)C1 |r| Show InChI InChI=1S/C22H24F3N5O2S/c1-21(2,32)18(23)10-27-20(31)14-9-26-19(6-16(14)29-13-7-22(24,25)8-13)30-12-3-4-15-17(5-12)33-11-28-15/h3-6,9,11,13,18,32H,7-8,10H2,1-2H3,(H,27,31)(H2,26,29,30)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209848 (US9546153, ex. 195) Show SMILES CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:6.5,wD:9.12,(-10.8,3.2,;-9.31,3.6,;-8.92,5.09,;-8.23,2.51,;-6.74,2.91,;-6.34,4.4,;-5.65,1.82,;-4.16,2.22,;-3.07,1.13,;-3.47,-.36,;-4.96,-.76,;-6.05,.33,;-2.38,-1.45,;-1.05,-.68,;-1.05,.86,;.29,-1.45,;.29,-2.99,;1.62,-3.76,;2.95,-2.99,;4.29,-3.76,;5.77,-3.36,;6.25,-1.89,;7.76,-1.57,;8.79,-2.72,;10.33,-2.72,;10.8,-4.18,;9.56,-5.09,;8.31,-4.18,;6.8,-4.5,;2.95,-1.45,;1.62,-.68,;1.62,.86,;2.95,1.63,;2.95,3.17,;4.49,1.63,)| Show InChI InChI=1S/C26H34N6O2S/c1-15(2)29-22-12-24(31-19-9-10-21-23(11-19)35-14-28-21)27-13-20(22)26(34)32-18-7-5-17(6-8-18)25(33)30-16(3)4/h9-18H,5-8H2,1-4H3,(H,30,33)(H,32,34)(H2,27,29,31)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM209938 (US9546153, ex. 206) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:7.6,wD:10.13,(-11.85,1.93,;-10.52,1.15,;-10.52,-.38,;-9.19,1.93,;-7.85,1.15,;-7.85,-.38,;-6.52,1.93,;-5.19,1.15,;-3.85,1.93,;-2.52,1.15,;-2.52,-.38,;-3.85,-1.15,;-5.19,-.38,;-1.18,-1.15,;.15,-.38,;.15,1.15,;1.48,-1.15,;1.48,-2.69,;2.82,-3.47,;4.15,-2.69,;5.48,-3.47,;6.82,-2.69,;6.82,-1.15,;8.15,-.38,;9.48,-1.15,;10.95,-.68,;11.85,-1.93,;10.95,-3.17,;9.48,-2.69,;8.15,-3.47,;4.15,-1.15,;2.82,-.38,;2.82,1.15,;4.15,1.93,;4.15,3.47,;5.48,1.15,)| Show InChI InChI=1S/C26H35N7O2S/c1-15(2)29-22-12-24(31-19-9-10-21-23(11-19)36-14-28-21)27-13-20(22)25(34)32-17-5-7-18(8-6-17)33-26(35)30-16(3)4/h9-18H,5-8H2,1-4H3,(H,32,34)(H2,27,29,31)(H2,30,33,35)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.2	25
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 US9546153 (2017) BindingDB Entry DOI: 10.7270/Q28C9Z71
					More data for this Ligand-Target Pair

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