Compile Data Set for Download or QSAR

Found 3485 hits with Last Name = 'wright' and Initial = 'ne'   

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))	BDBM592293 (6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-(((1r,...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C1=NC(N=N1)C(-*)-*)-c1ccc2cc(cnn12)C#N |r,wU:4.4,17.17,wD:20.24,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;star_e;star_e;;;;;;;;;;;$,c:28,t:25,(-9.79,-1.54,;-8.46,-.77,;-8.46,.77,;-9.79,,;-7.12,-1.54,;-7.12,-3.08,;-5.79,-.77,;-4.46,-1.54,;-3.12,-.77,;-3.12,.77,;-1.79,-1.54,;-1.79,-3.08,;-.45,-3.85,;.88,-3.08,;.88,-1.54,;-.45,-.77,;-.45,.77,;.88,1.54,;.88,3.08,;2.21,3.85,;3.55,3.08,;3.55,1.54,;2.21,.77,;4.88,3.85,;6.29,3.22,;7.32,4.37,;6.55,5.7,;5.04,5.38,;8.85,4.21,;9.79,5.43,;9.45,2.79,;2.21,-3.85,;2.37,-5.38,;3.88,-5.7,;4.65,-4.37,;6.16,-4.05,;6.63,-2.58,;5.6,-1.44,;4.1,-1.76,;3.62,-3.22,;8.14,-2.26,;9.65,-1.94,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.639	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzyme and peptide solution were incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DTZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM592291 (4-(((1r,4R)-4-(1H-pyrazol-3- yl)cyclohexyl)amino)...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cc[nH]n1)C1=CC=C2C=C(C=NC12)C#N |r,wU:4.4,17.17,wD:20.24,c:35,37,t:31,33,(-9.72,-1.54,;-8.38,-.77,;-8.38,.77,;-9.72,,;-7.05,-1.54,;-7.05,-3.08,;-5.72,-.77,;-4.38,-1.54,;-3.05,-.77,;-3.05,.77,;-1.72,-1.54,;-1.72,-3.08,;-.38,-3.85,;.95,-3.08,;.95,-1.54,;-.38,-.77,;-.38,.77,;.95,1.54,;.95,3.08,;2.29,3.85,;3.62,3.08,;3.62,1.54,;2.29,.77,;4.95,3.85,;5.11,5.38,;6.62,5.7,;7.39,4.37,;6.36,3.22,;2.29,-3.85,;2.45,-5.38,;3.95,-5.7,;4.72,-4.37,;6.23,-4.05,;6.71,-2.58,;5.67,-1.44,;4.17,-1.76,;3.69,-3.22,;8.21,-2.26,;9.72,-1.94,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.822	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzyme and peptide solution were incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DTZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM592294 (6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-(((3S,...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](OC1)c1nnc(o1)C(F)F)-c1ccc2cc(cnn12)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.868	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzyme and peptide solution were incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DTZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM592295 (6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-(((1r,...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C1=NC(C=C1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.24,wD:17.17,c:28,t:25,(-9.72,-2.87,;-8.38,-2.1,;-8.38,-.56,;-9.72,-1.33,;-7.05,-2.87,;-7.05,-4.41,;-5.72,-2.1,;-4.38,-2.87,;-3.05,-2.1,;-3.05,-.56,;-1.72,-2.87,;-1.72,-4.41,;-.38,-5.18,;.95,-4.41,;.95,-2.87,;-.38,-2.1,;-.38,-.56,;.95,.21,;2.29,-.56,;3.62,.21,;3.62,1.75,;2.29,2.52,;.95,1.75,;4.95,2.52,;5.11,4.06,;6.62,4.38,;7.39,3.04,;6.36,1.9,;7.25,5.78,;6.34,7.03,;8.78,5.94,;2.29,-5.18,;2.45,-6.71,;3.95,-7.03,;4.72,-5.69,;6.23,-5.37,;6.71,-3.91,;5.67,-2.77,;4.17,-3.09,;3.69,-4.55,;8.21,-3.59,;9.72,-3.27,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.875	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzyme and peptide solution were incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. Th...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DTZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407441 ((R)-4-((3-carbamoyl- phenyl)amino)-6-(3- cyanopyrr...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C26H24FN7O3/c1-26(2,37)23(27)14-31-25(36)19-13-30-21(22-7-6-18-8-15(11-28)12-32-34(18)22)10-20(19)33-17-5-3-4-16(9-17)24(29)35/h3-10,12-13,23,37H,14H2,1-2H3,(H2,29,35)(H,30,33)(H,31,36)/t23-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407442 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(F)c1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C25H22F2N6O2/c1-25(2,35)23(27)14-30-24(34)19-13-29-21(10-20(19)32-17-5-3-4-16(26)9-17)22-7-6-18-8-15(11-28)12-31-33(18)22/h3-10,12-13,23,35H,14H2,1-2H3,(H,29,32)(H,30,34)/t23-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407443 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccccc1=O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C30H26FN7O3/c1-30(2,41)27(31)18-34-29(40)23-17-33-25(26-11-10-22-13-19(15-32)16-35-38(22)26)14-24(23)36-20-6-8-21(9-7-20)37-12-4-3-5-28(37)39/h3-14,16-17,27,41H,18H2,1-2H3,(H,33,36)(H,34,40)/t27-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407872 (US10336762, Compound 816 | methyl (((1r,3r)-3-((5-...) Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(11.53,3.78,;10.19,3.01,;8.86,3.78,;8.86,5.32,;7.52,3.01,;6.19,3.78,;4.86,3.01,;4.46,1.52,;2.97,1.92,;3.37,3.41,;1.64,1.15,;1.64,-.39,;2.97,-1.16,;2.97,-2.7,;1.64,-3.47,;.3,-2.7,;.3,-1.16,;-1.03,-.39,;-1.03,1.15,;-2.36,-1.16,;-3.7,-.39,;-5.03,-1.16,;-6.36,-.39,;-7.7,-1.16,;-6.36,1.15,;-7.7,.38,;-9.03,-.39,;-9.03,-1.93,;-10.37,.38,;-10.37,1.92,;-11.7,2.69,;-9.03,2.69,;-10.37,3.46,;4.3,-3.47,;4.47,-5,;5.97,-5.32,;6.74,-3.99,;8.25,-3.67,;8.72,-2.2,;7.69,-1.06,;6.19,-1.38,;5.71,-2.84,;10.21,-1.8,;11.7,-1.4,)| Show InChI InChI=1S/C31H40N8O5/c1-30(2,3)44-29(42)38-31(4,5)9-10-33-27(40)23-18-34-25(26-8-7-22-13-20(15-32)17-36-39(22)26)14-24(23)37-21-11-19(12-21)16-35-28(41)43-6/h7-8,13-14,17-19,21H,9-12,16H2,1-6H3,(H,33,40)(H,34,37)(H,35,41)(H,38,42)/t19-,21-	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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407875 (US10336762, Compound 819 | methyl (((1r,3r)-3-((5-...) Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCCC(C)(C)N)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)| Show InChI InChI=1S/C26H32N8O3/c1-26(2,28)6-7-29-24(35)20-15-30-22(23-5-4-19-10-17(12-27)14-32-34(19)23)11-21(20)33-18-8-16(9-18)13-31-25(36)37-3/h4-5,10-11,14-16,18H,6-9,13,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,36)/t16-,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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407876 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncccc2c1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C28H24FN7O2/c1-28(2,38)26(29)16-33-27(37)21-15-32-24(25-8-6-20-10-17(13-30)14-34-36(20)25)12-23(21)35-19-5-7-22-18(11-19)4-3-9-31-22/h3-12,14-15,26,38H,16H2,1-2H3,(H,32,35)(H,33,37)/t26-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407877 ((R)-4-((1,6-naphthyridin- 2-yl)amino)-6-(3-cyano- ...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2cnccc2n1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C27H23FN8O2/c1-27(2,38)24(28)15-32-26(37)19-14-31-22(23-5-4-18-9-16(11-29)12-33-36(18)23)10-21(19)35-25-6-3-17-13-30-8-7-20(17)34-25/h3-10,12-14,24,38H,15H2,1-2H3,(H,32,37)(H,31,34,35)/t24-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407878 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.77,;-8.37,-1,;-8.37,.54,;-9.7,-.23,;-7.03,-1.77,;-7.03,-3.31,;-5.7,-1,;-4.36,-1.77,;-3.03,-1,;-3.03,.54,;-1.7,-1.77,;-1.7,-3.31,;-.36,-4.08,;.97,-3.31,;.97,-1.77,;-.36,-1,;-.36,.54,;.97,1.31,;.97,2.85,;2.3,3.62,;3.64,2.85,;3.64,1.31,;2.3,.54,;4.97,3.62,;6.31,2.85,;7.64,3.62,;7.64,5.16,;6.31,5.93,;4.97,5.16,;2.3,-4.08,;2.47,-5.61,;3.97,-5.93,;4.74,-4.6,;6.25,-4.28,;6.72,-2.81,;5.69,-1.67,;4.19,-1.99,;3.71,-3.45,;8.21,-2.41,;9.7,-2.02,)| Show InChI InChI=1S/C29H36FN7O3/c1-29(2,39)27(30)18-33-28(38)23-17-32-25(26-8-7-22-13-19(15-31)16-34-37(22)26)14-24(23)35-20-3-5-21(6-4-20)36-9-11-40-12-10-36/h7-8,13-14,16-17,20-21,27,39H,3-6,9-12,18H2,1-2H3,(H,32,35)(H,33,38)/t20-,21-,27-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407879 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.5,21.23,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)| Show InChI InChI=1S/C26H30FN7O4/c1-26(2,37)23(27)14-30-24(35)19-13-29-21(22-5-4-18-8-16(10-28)12-32-34(18)22)9-20(19)33-17-6-15(7-17)11-31-25(36)38-3/h4-5,8-9,12-13,15,17,23,37H,6-7,11,14H2,1-3H3,(H,29,33)(H,30,35)(H,31,36)/t15-,17-,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	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407880 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(C)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:8.7,23.25,wD:10.12,(9.53,3.78,;8.19,3.01,;8.19,1.47,;9.53,2.24,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)| Show InChI InChI=1S/C29H36FN7O3/c1-28(2,3)27(39)34-13-17-8-19(9-17)36-22-11-23(24-7-6-20-10-18(12-31)14-35-37(20)24)32-15-21(22)26(38)33-16-25(30)29(4,5)40/h6-7,10-11,14-15,17,19,25,40H,8-9,13,16H2,1-5H3,(H,32,36)(H,33,38)(H,34,39)/t17-,19-,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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407942 (US10336762, Compound 887 | methyl (((S)-4-(5-((2-(...) Show SMILES COC(=O)NCC1CN(CCO1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C31H34FN9O5/c1-31(2,44)27(32)17-36-29(42)23-16-34-25(26-6-5-21-10-19(12-33)13-38-41(21)26)11-24(23)39-20-4-7-28(35-14-20)40-8-9-46-22(18-40)15-37-30(43)45-3/h4-7,10-11,13-14,16,22,27,44H,8-9,15,17-18H2,1-3H3,(H,34,39)(H,36,42)(H,37,43)/t22?,27-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407943 ((R)-methyl (5-((2-(3-cyano- pyrrolo[1,2-b]pyridazi...) Show SMILES COC(=O)Nc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C26H25FN8O4/c1-26(2,38)22(27)14-31-24(36)18-13-29-20(21-6-5-17-8-15(10-28)11-32-35(17)21)9-19(18)33-16-4-7-23(30-12-16)34-25(37)39-3/h4-9,11-13,22,38H,14H2,1-3H3,(H,29,33)(H,31,36)(H,30,34,37)/t22-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407951 ((S)-N-(cyanomethyl)-6-(3- cyanopyrrolo[1,2-b] pyri...) Show SMILES O=C(NCC#N)c1cnc(cc1Nc1cnn(c1)[C@H]1CCNC1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C23H20N10O/c24-4-6-27-23(34)19-13-28-21(22-2-1-17-7-15(9-25)10-30-33(17)22)8-20(19)31-16-11-29-32(14-16)18-3-5-26-12-18/h1-2,7-8,10-11,13-14,18,26H,3,5-6,12H2,(H,27,34)(H,28,31)/t18-/m0/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407953 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CN(CC(F)(F)F)C2)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C27H29F4N7O2/c1-25(2,40)23(28)12-34-24(39)19-11-33-21(22-4-3-18-5-16(9-32)10-35-38(18)22)6-20(19)36-17-7-26(8-17)13-37(14-26)15-27(29,30)31/h3-6,10-11,17,23,40H,7-8,12-15H2,1-2H3,(H,33,36)(H,34,39)/t23-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407881 (4-(((1r,3R)-3- (butyramidomethyl)cyclo- butyl)amin...) Show SMILES CCCC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.6,22.24,wD:9.11,(10.28,3.01,;8.95,3.78,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)| Show InChI InChI=1S/C28H34FN7O3/c1-4-5-26(37)32-13-17-8-19(9-17)35-22-11-23(24-7-6-20-10-18(12-30)14-34-36(20)24)31-15-21(22)27(38)33-16-25(29)28(2,3)39/h6-7,10-11,14-15,17,19,25,39H,4-5,8-9,13,16H2,1-3H3,(H,31,35)(H,32,37)(H,33,38)/t17-,19-,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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407882 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)CC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:8.7,23.25,wD:10.12,(10.28,3.01,;8.95,3.78,;8.95,5.32,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)| Show InChI InChI=1S/C29H36FN7O3/c1-17(2)7-27(38)33-13-18-8-20(9-18)36-23-11-24(25-6-5-21-10-19(12-31)14-35-37(21)25)32-15-22(23)28(39)34-16-26(30)29(3,4)40/h5-6,10-11,14-15,17-18,20,26,40H,7-9,13,16H2,1-4H3,(H,32,36)(H,33,38)(H,34,39)/t18-,20-,26-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407883 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(C)CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.57,4.5,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)| Show InChI InChI=1S/C29H34FN7O3/c1-28(2,40)25(30)16-33-26(38)21-15-32-23(24-5-4-20-10-18(12-31)14-35-37(20)24)11-22(21)36-19-8-17(9-19)13-34-27(39)29(3)6-7-29/h4-5,10-11,14-15,17,19,25,40H,6-9,13,16H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t17-,19-,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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407884 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(F)CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.57,4.5,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)| Show InChI InChI=1S/C28H31F2N7O3/c1-27(2,40)24(29)15-33-25(38)20-14-32-22(23-4-3-19-9-17(11-31)13-35-37(19)23)10-21(20)36-18-7-16(8-18)12-34-26(39)28(30)5-6-28/h3-4,9-10,13-14,16,18,24,40H,5-8,12,15H2,1-2H3,(H,32,36)(H,33,38)(H,34,39)/t16-,18-,24-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407885 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(CC2)C(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.89,-1.49,;-8.55,-.72,;-8.55,.82,;-9.89,.05,;-7.22,-1.49,;-7.22,-3.03,;-5.89,-.72,;-4.55,-1.49,;-3.22,-.72,;-3.22,.82,;-1.89,-1.49,;-1.89,-3.03,;-.55,-3.8,;.78,-3.03,;.78,-1.49,;-.55,-.72,;-.55,.82,;.78,1.59,;2.27,1.19,;2.67,2.68,;4,3.45,;5.33,2.68,;6.67,3.45,;6.67,4.99,;8,2.68,;8.77,1.34,;9.54,2.68,;8.4,4.17,;7.31,5.25,;9.89,4.56,;8.8,5.65,;1.18,3.08,;2.11,-3.8,;2.28,-5.33,;3.78,-5.65,;4.55,-4.32,;6.06,-4,;6.53,-2.53,;5.5,-1.39,;4,-1.71,;3.52,-3.17,;8.02,-2.14,;9.51,-1.74,)| Show InChI InChI=1S/C29H31F4N7O3/c1-27(2,43)24(30)15-36-25(41)20-14-35-22(23-4-3-19-9-17(11-34)13-38-40(19)23)10-21(20)39-18-7-16(8-18)12-37-26(42)28(5-6-28)29(31,32)33/h3-4,9-10,13-14,16,18,24,43H,5-8,12,15H2,1-2H3,(H,35,39)(H,36,41)(H,37,42)/t16-,18-,24-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407886 (US10336762, Compound 830 | methyl (((1R,3r)-3-((2-...) Show SMILES COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:6.5,23.28,wD:8.10,(11.63,3.78,;10.3,3.01,;8.96,3.78,;8.96,5.32,;7.63,3.01,;6.29,3.78,;4.96,3.01,;4.56,1.52,;3.07,1.92,;3.47,3.41,;1.74,1.15,;1.74,-.39,;3.07,-1.16,;3.07,-2.7,;1.74,-3.47,;.41,-2.7,;.41,-1.16,;-.93,-.39,;-.93,1.15,;-2.26,-1.16,;-3.59,-.39,;-3.59,1.15,;-4.93,1.92,;-6.26,1.15,;-6.26,-.39,;-4.93,-1.16,;-7.6,1.92,;-8.93,1.15,;-8.93,-.39,;-10.26,1.92,;-11.03,3.25,;-11.8,1.92,;4.41,-3.47,;4.57,-5,;6.08,-5.32,;6.85,-3.99,;8.35,-3.67,;8.83,-2.2,;7.8,-1.06,;6.29,-1.38,;5.81,-2.84,;10.32,-1.8,;11.8,-1.4,)| Show InChI InChI=1S/C31H36N8O4/c1-43-31(42)34-15-18-10-23(11-18)36-26-13-27(28-9-8-24-12-19(14-32)16-35-39(24)28)33-17-25(26)30(41)38-22-6-4-21(5-7-22)37-29(40)20-2-3-20/h8-9,12-13,16-18,20-23H,2-7,10-11,15H2,1H3,(H,33,36)(H,34,42)(H,37,40)(H,38,41)/t18-,21-,22?,23-	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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407887 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNS(C)(=O)=O)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;4.19,3.78,;5.52,3.01,;6.86,3.78,;8.19,3.01,;6.86,5.32,;6.86,2.24,;1.37,3.41,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)| Show InChI InChI=1S/C25H30FN7O4S/c1-25(2,35)23(26)14-29-24(34)19-13-28-21(22-5-4-18-8-16(10-27)11-30-33(18)22)9-20(19)32-17-6-15(7-17)12-31-38(3,36)37/h4-5,8-9,11,13,15,17,23,31,35H,6-7,12,14H2,1-3H3,(H,28,32)(H,29,34)/t15-,17-,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	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407888 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC2(CCC(=O)N2)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.82,;-8.37,-1.05,;-8.37,.49,;-9.7,-.28,;-7.03,-1.82,;-7.03,-3.36,;-5.7,-1.05,;-4.36,-1.82,;-3.03,-1.05,;-3.03,.49,;-1.7,-1.82,;-1.7,-3.36,;-.36,-4.13,;.97,-3.36,;.97,-1.82,;-.36,-1.05,;-.36,.49,;.97,1.26,;2.3,.49,;3.64,1.26,;3.64,2.8,;5.04,2.17,;6.08,3.32,;5.31,4.65,;6.08,5.98,;3.8,4.33,;2.3,3.57,;.97,2.8,;2.3,-4.13,;2.47,-5.66,;3.97,-5.98,;4.74,-4.65,;6.25,-4.33,;6.72,-2.87,;5.69,-1.72,;4.19,-2.04,;3.71,-3.51,;8.21,-2.47,;9.7,-2.07,)| Show InChI InChI=1S/C28H32FN7O3/c1-27(2,39)24(29)16-32-26(38)20-15-31-22(23-4-3-19-11-17(13-30)14-33-36(19)23)12-21(20)34-18-5-8-28(9-6-18)10-7-25(37)35-28/h3-4,11-12,14-15,18,24,39H,5-10,16H2,1-2H3,(H,31,34)(H,32,38)(H,35,37)/t18?,24-,28?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407889 (6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-((3- ((...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(CNC(=O)C3CC3(F)F)(C1)C2)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C29H30F3N7O3/c1-26(2,42)23(30)11-35-24(40)18-10-34-21(22-4-3-17-5-16(8-33)9-37-39(17)22)6-20(18)38-28-12-27(13-28,14-28)15-36-25(41)19-7-29(19,31)32/h3-6,9-10,19,23,42H,7,11-15H2,1-2H3,(H,34,38)(H,35,40)(H,36,41)/t19?,23-,27?,28?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407890 ((R)-methyl (4-((2-(3-cyano- pyrrolo[1,2-b]pyridazi...) Show SMILES COC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1F |r| Show InChI InChI=1S/C28H27F2N7O4/c1-28(2,40)25(30)15-33-26(38)20-14-32-23(24-7-6-19-8-16(11-31)12-35-37(19)24)10-22(20)36-18-5-4-17(21(29)9-18)13-34-27(39)41-3/h4-10,12,14,25,40H,13,15H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t25-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407891 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((5...) Show SMILES CCOc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r| Show InChI InChI=1S/C26H26FN7O3/c1-4-37-19-8-17(12-29-13-19)33-21-9-22(23-6-5-18-7-16(10-28)11-32-34(18)23)30-14-20(21)25(35)31-15-24(27)26(2,3)36/h5-9,11-14,24,36H,4,15H2,1-3H3,(H,30,33)(H,31,35)/t24-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407895 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CCC(=O)c1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r| Show InChI InChI=1S/C28H27FN6O3/c1-4-25(36)18-6-5-7-19(11-18)34-22-12-23(24-9-8-20-10-17(13-30)14-33-35(20)24)31-15-21(22)27(37)32-16-26(29)28(2,3)38/h5-12,14-15,26,38H,4,16H2,1-3H3,(H,31,34)(H,32,37)/t26-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407896 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES COc1cnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C24H23FN8O3/c1-24(2,35)20(25)11-30-23(34)16-10-27-18(7-17(16)32-21-12-29-22(36-3)13-28-21)19-5-4-15-6-14(8-26)9-31-33(15)19/h4-7,9-10,12-13,20,35H,11H2,1-3H3,(H,30,34)(H,27,28,32)/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407897 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((5...) Show SMILES CCOc1cnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C25H25FN8O3/c1-4-37-23-14-29-22(13-30-23)33-18-8-19(20-6-5-16-7-15(9-27)10-32-34(16)20)28-11-17(18)24(35)31-12-21(26)25(2,3)36/h5-8,10-11,13-14,21,36H,4,12H2,1-3H3,(H,31,35)(H,28,29,33)/t21-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407898 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES COc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r| Show InChI InChI=1S/C24H23FN8O3/c1-24(2,35)20(25)11-29-23(34)16-10-28-18(7-17(16)31-21-12-27-13-22(32-21)36-3)19-5-4-15-6-14(8-26)9-30-33(15)19/h4-7,9-10,12-13,20,35H,11H2,1-3H3,(H,29,34)(H,28,31,32)/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407899 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CCCc1nccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r| Show InChI InChI=1S/C26H27FN8O2/c1-4-5-23-29-9-8-24(34-23)33-19-11-20(21-7-6-17-10-16(12-28)13-32-35(17)21)30-14-18(19)25(36)31-15-22(27)26(2,3)37/h6-11,13-14,22,37H,4-5,15H2,1-3H3,(H,31,36)(H,29,30,33,34)/t22-/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407446 (N-(cyanomethyl)-6-(3- cyanopyrrolo[1,2-b] pyridazi...) Show SMILES C[C@@]1(O)C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:4.6,1.1,wD:1.0,(3.52,3.01,;2.19,3.78,;3.52,4.55,;.7,4.18,;.3,2.69,;1.79,2.29,;-1.03,1.92,;-1.03,.38,;.3,-.39,;.3,-1.93,;-1.03,-2.7,;-2.36,-1.93,;-2.36,-.39,;-3.7,.38,;-3.7,1.92,;-5.03,-.39,;-6.36,.38,;-7.7,-.39,;-9.03,-1.16,;1.64,-2.7,;1.8,-4.23,;3.3,-4.55,;4.07,-3.22,;5.58,-2.9,;6.06,-1.43,;5.03,-.29,;3.52,-.61,;3.04,-2.07,;7.54,-1.03,;9.03,-.63,)| Show InChI InChI=1S/C21H19N7O2/c1-21(30)8-14(9-21)27-17-7-18(25-12-16(17)20(29)24-5-4-22)19-3-2-15-6-13(10-23)11-26-28(15)19/h2-3,6-7,11-12,14,30H,5,8-9H2,1H3,(H,24,29)(H,25,27)/t14-,21+	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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407449 (N-(cyanomethyl)-6-(3- cyanopyrrolo[1,2-b] pyridazi...) Show SMILES O=C(NCC#N)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(-3.7,.39,;-3.7,-1.15,;-5.03,-1.92,;-6.36,-1.15,;-7.7,-1.92,;-9.03,-2.69,;-2.36,-1.92,;-2.36,-3.46,;-1.03,-4.23,;.3,-3.46,;.3,-1.92,;-1.03,-1.15,;-1.03,.39,;.3,1.16,;1.64,.39,;2.97,1.16,;2.97,2.7,;1.64,3.47,;.3,2.7,;4.3,3.47,;5.71,2.84,;6.74,3.98,;5.97,5.32,;4.47,5,;3.38,6.09,;1.64,-4.23,;1.8,-5.77,;3.3,-6.09,;4.07,-4.75,;5.58,-4.43,;6.06,-2.97,;5.03,-1.82,;3.52,-2.14,;3.04,-3.61,;7.54,-2.57,;9.03,-2.17,)| Show InChI InChI=1S/C25H24N8O3/c26-7-8-28-24(34)20-15-29-22(23-6-5-19-11-16(13-27)14-30-33(19)23)12-21(20)31-17-1-3-18(4-2-17)32-9-10-36-25(32)35/h5-6,11-12,14-15,17-18H,1-4,8-10H2,(H,28,34)(H,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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407450 (6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N- ((R)-2...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.92,;-8.37,-1.15,;-8.37,.39,;-9.7,-.38,;-7.03,-1.92,;-7.03,-3.46,;-5.7,-1.15,;-4.36,-1.92,;-3.03,-1.15,;-3.03,.39,;-1.7,-1.92,;-1.7,-3.46,;-.36,-4.23,;.97,-3.46,;.97,-1.92,;-.36,-1.15,;-.36,.39,;.97,1.16,;2.3,.39,;3.64,1.16,;3.64,2.7,;2.3,3.47,;.97,2.7,;4.97,3.47,;6.38,2.84,;7.41,3.98,;6.64,5.32,;5.13,5,;4.04,6.09,;2.3,-4.23,;2.47,-5.77,;3.97,-6.09,;4.74,-4.75,;6.25,-4.43,;6.72,-2.97,;5.69,-1.82,;4.19,-2.14,;3.71,-3.61,;8.21,-2.57,;9.7,-2.17,)| Show InChI InChI=1S/C28H32FN7O4/c1-28(2,39)25(29)16-32-26(37)21-15-31-23(24-8-7-20-11-17(13-30)14-33-36(20)24)12-22(21)34-18-3-5-19(6-4-18)35-9-10-40-27(35)38/h7-8,11-12,14-15,18-19,25,39H,3-6,9-10,16H2,1-2H3,(H,31,34)(H,32,37)/t18-,19-,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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407451 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C1)C(F)F)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C32H36F3N7O3/c1-30(2,45)26(33)16-38-28(43)22-15-37-24(25-4-3-21-11-19(13-36)14-39-42(21)25)12-23(22)40-32-8-5-31(6-9-32,7-10-32)29(44)41-17-20(18-41)27(34)35/h3-4,11-12,14-15,20,26-27,45H,5-10,16-18H2,1-2H3,(H,37,40)(H,38,43)/t26-,31?,32?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407452 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C)(F)C1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C32H37F2N7O3/c1-29(2,44)26(33)17-37-27(42)22-16-36-24(25-5-4-21-12-20(14-35)15-38-41(21)25)13-23(22)39-32-9-6-31(7-10-32,8-11-32)28(43)40-18-30(3,34)19-40/h4-5,12-13,15-16,26,44H,6-11,17-19H2,1-3H3,(H,36,39)(H,37,42)/t26-,31?,32?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407454 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES COC1CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C32H38FN7O4/c1-30(2,43)27(33)17-36-28(41)23-16-35-25(26-5-4-21-12-20(14-34)15-37-40(21)26)13-24(23)38-32-9-6-31(7-10-32,8-11-32)29(42)39-18-22(19-39)44-3/h4-5,12-13,15-16,22,27,43H,6-11,17-19H2,1-3H3,(H,35,38)(H,36,41)/t27-,31?,32?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407455 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES COCCNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C31H38FN7O4/c1-29(2,42)26(32)19-36-27(40)22-18-35-24(25-5-4-21-14-20(16-33)17-37-39(21)25)15-23(22)38-31-9-6-30(7-10-31,8-11-31)28(41)34-12-13-43-3/h4-5,14-15,17-18,26,42H,6-13,19H2,1-3H3,(H,34,41)(H,35,38)(H,36,40)/t26-,30?,31?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407456 ((R)-4-((4- carbamoylbicyclo[2.2.2] octan-1-yl)amin...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(N)=O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C28H32FN7O3/c1-26(2,39)23(29)16-33-24(37)19-15-32-21(22-4-3-18-11-17(13-30)14-34-36(18)22)12-20(19)35-28-8-5-27(6-9-28,7-10-28)25(31)38/h3-4,11-12,14-15,23,39H,5-10,16H2,1-2H3,(H2,31,38)(H,32,35)(H,33,37)/t23-,27?,28?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407457 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C30H34FN7O4/c1-28(2,41)25(31)18-34-26(39)21-17-33-23(24-4-3-20-13-19(15-32)16-35-38(20)24)14-22(21)36-29-5-8-30(9-6-29,10-7-29)37-11-12-42-27(37)40/h3-4,13-14,16-17,25,41H,5-12,18H2,1-2H3,(H,33,36)(H,34,39)/t25-,29?,30?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407458 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)C1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C31H35F2N7O3/c1-29(2,43)26(33)16-36-27(41)22-15-35-24(25-4-3-21-11-19(13-34)14-37-40(21)25)12-23(22)38-31-8-5-30(6-9-31,7-10-31)28(42)39-17-20(32)18-39/h3-4,11-12,14-15,20,26,43H,5-10,16-18H2,1-2H3,(H,35,38)(H,36,41)/t26-,30?,31?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407461 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C26H29FN6O3/c1-24(2,35)22(27)14-30-23(34)18-13-29-20(21-4-3-17-9-16(11-28)12-31-33(17)21)10-19(18)32-25-5-7-26(36,15-25)8-6-25/h3-4,9-10,12-13,22,35-36H,5-8,14-15H2,1-2H3,(H,29,32)(H,30,34)/t22-,25?,26?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407462 ((R)-4-((4-(bis(methyl-d3) carbamoyl)bicyclo[2.2.2]...) Show SMILES CN(C)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C30H36FN7O3/c1-28(2,41)25(31)18-34-26(39)21-17-33-23(24-6-5-20-13-19(15-32)16-35-38(20)24)14-22(21)36-30-10-7-29(8-11-30,9-12-30)27(40)37(3)4/h5-6,13-14,16-17,25,41H,7-12,18H2,1-4H3,(H,33,36)(H,34,39)/t25-,29?,30?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407463 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCC1=O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C30H34FN7O3/c1-28(2,41)25(31)18-34-27(40)21-17-33-23(24-4-3-20-13-19(15-32)16-35-38(20)24)14-22(21)36-29-6-9-30(10-7-29,11-8-29)37-12-5-26(37)39/h3-4,13-14,16-17,25,41H,5-12,18H2,1-2H3,(H,33,36)(H,34,40)/t25-,29?,30?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407464 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C31H36FN7O3/c1-29(2,42)26(32)18-35-27(40)22-17-34-24(25-6-5-21-13-19(15-33)16-36-39(21)25)14-23(22)38-31-10-7-30(8-11-31,9-12-31)28(41)37-20-3-4-20/h5-6,13-14,16-17,20,26,42H,3-4,7-12,18H2,1-2H3,(H,34,38)(H,35,40)(H,37,41)/t26-,30?,31?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407466 ((R)-4-((4-(azetidine-1- carbonyl)bicyclo[2.2.2] oc...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C31H36FN7O3/c1-29(2,42)26(32)19-35-27(40)22-18-34-24(25-5-4-21-14-20(16-33)17-36-39(21)25)15-23(22)37-31-9-6-30(7-10-31,8-11-31)28(41)38-12-3-13-38/h4-5,14-15,17-18,26,42H,3,6-13,19H2,1-2H3,(H,34,37)(H,35,40)/t26-,30?,31?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407467 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C31H34F3N7O3/c1-28(2,44)25(32)16-37-26(42)21-15-36-23(24-4-3-20-11-19(13-35)14-38-41(20)24)12-22(21)39-30-8-5-29(6-9-30,7-10-30)27(43)40-17-31(33,34)18-40/h3-4,11-12,14-15,25,44H,5-10,16-18H2,1-2H3,(H,36,39)(H,37,42)/t25-,29?,30?/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	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair

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