Compile Data Set for Download or QSAR

Found 1932 hits Enz. Inhib. hit(s) with all data for entry = 8609   

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))	BDBM407416 (6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-4-((4- hy...) Show SMILES CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N Show InChI InChI=1S/C23H24N6O2/c1-25-21(30)17-14-26-19(20-3-2-16-10-15(12-24)13-27-29(16)20)11-18(17)28-22-4-7-23(31,8-5-22)9-6-22/h2-3,10-11,13-14,31H,4-9H2,1H3,(H,25,30)(H,26,28)	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))	BDBM407424 (6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N- ((1r,4...) Show SMILES CN(C)[C@H]1CCC(CC1)NC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:3.2,wD:19.20,23.25,(-10.37,.93,;-9.03,1.7,;-9.03,3.24,;-7.7,.93,;-6.36,1.7,;-5.03,.93,;-5.03,-.61,;-6.36,-1.38,;-7.7,-.61,;-3.7,-1.38,;-2.36,-.61,;-2.36,.93,;-1.03,-1.38,;-1.03,-2.92,;.3,-3.69,;1.64,-2.92,;1.64,-1.38,;.3,-.61,;.3,.93,;1.64,1.7,;2.97,.93,;4.3,1.7,;4.3,3.24,;2.97,4.01,;2.97,5.55,;1.64,3.24,;2.97,-3.69,;3.13,-5.23,;4.64,-5.55,;5.41,-4.21,;6.91,-3.89,;7.39,-2.43,;6.36,-1.28,;4.85,-1.6,;4.38,-3.07,;8.88,-2.03,;10.37,-1.63,)| Show InChI InChI=1S/C28H35N7O2/c1-34(2)21-8-6-19(7-9-21)33-28(37)24-17-30-26(14-25(24)32-20-4-3-5-23(36)13-20)27-11-10-22-12-18(15-29)16-31-35(22)27/h10-12,14,16-17,19-21,23,36H,3-9,13H2,1-2H3,(H,30,32)(H,33,37)/t19?,20-,21-,23+/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))	BDBM407428 ((R)-4-((1-benzyl-1H- pyrazol-3-yl)amino)-6- (3-cya...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(Cc2ccccc2)n1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C29H27FN8O2/c1-29(2,40)26(30)17-33-28(39)22-16-32-24(25-9-8-21-12-20(14-31)15-34-38(21)25)13-23(22)35-27-10-11-37(36-27)18-19-6-4-3-5-7-19/h3-13,15-16,26,40H,17-18H2,1-2H3,(H,33,39)(H,32,35,36)/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))	BDBM407429 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r| Show InChI InChI=1S/C23H23FN8O2/c1-23(2,34)20(24)13-27-22(33)16-12-26-18(9-17(16)29-21-6-7-31(3)30-21)19-5-4-15-8-14(10-25)11-28-32(15)19/h4-9,11-12,20,34H,13H2,1-3H3,(H,27,33)(H,26,29,30)/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))	BDBM407428 ((R)-4-((1-benzyl-1H- pyrazol-3-yl)amino)-6- (3-cya...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(Cc2ccccc2)n1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C29H27FN8O2/c1-29(2,40)26(30)17-33-28(39)22-16-32-24(25-9-8-21-12-20(14-31)15-34-38(21)25)13-23(22)35-27-10-11-37(36-27)18-19-6-4-3-5-7-19/h3-13,15-16,26,40H,17-18H2,1-2H3,(H,33,39)(H,32,35,36)/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))	BDBM407431 ((R)-4-((3-carbamoyl- bicyclo[1.1.1]pentan-1- yl)am...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)C(N)=O)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C25H26FN7O3/c1-23(2,36)20(26)10-30-21(34)16-9-29-18(19-4-3-15-5-14(7-27)8-31-33(15)19)6-17(16)32-25-11-24(12-25,13-25)22(28)35/h3-6,8-9,20,36H,10-13H2,1-2H3,(H2,28,35)(H,29,32)(H,30,34)/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	<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))	BDBM407432 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C23H19F4N7O2S/c1-22(2,36)18(24)10-30-20(35)14-9-29-16(17-4-3-13-5-12(7-28)8-31-34(13)17)6-15(14)32-21-33-19(11-37-21)23(25,26)27/h3-6,8-9,11,18,36H,10H2,1-2H3,(H,30,35)(H,29,32,33)/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	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))	BDBM407433 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nccs1)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C22H20FN7O2S/c1-22(2,32)19(23)12-27-20(31)15-11-26-17(8-16(15)29-21-25-5-6-33-21)18-4-3-14-7-13(9-24)10-28-30(14)18/h3-8,10-11,19,32H,12H2,1-2H3,(H,27,31)(H,25,26,29)/t19-/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))	BDBM407436 ((R)-4-((3-cyano- bicyclo[1.1.1]pentan-1- yl)amino)...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)C#N)-c1ccc2cc(cnn12)C#N |r| Show InChI InChI=1S/C25H24FN7O2/c1-23(2,35)21(26)10-30-22(34)17-9-29-19(6-18(17)32-25-11-24(12-25,13-25)14-28)20-4-3-16-5-15(7-27)8-31-33(16)20/h3-6,8-9,21,35H,10-13H2,1-2H3,(H,29,32)(H,30,34)/t21-,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	<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))	BDBM407439 ((R)-4-((4-carbamoyl- phenyl)amino)-6-(3- cyanopyrr...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)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(22-8-7-18-9-15(11-28)12-32-34(18)22)10-20(19)33-17-5-3-16(4-6-17)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))	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))	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

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