Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with all data for entry = 1011   

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))	BDBM302972 (US9598440, 113) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r| Show InChI InChI=1S/C26H30N6O3S/c1-13-9-15(10-14(2)28-13)29-25-27-12-16(24-31-18-7-5-6-8-20(18)36-24)23(32-25)30-19-11-17(26(3,4)35)21(33)22(19)34/h5-10,12,17,19,21-22,33-35H,11H2,1-4H3,(H2,27,28,29,30,32)/p+1/t17-,19+,21+,22-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302996 (US9598440, 137) Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r| Show InChI InChI=1S/C25H29N7O3S/c1-12-7-14(8-13(2)28-12)29-24-27-10-15(23-31-18-11-26-6-5-19(18)36-23)22(32-24)30-17-9-16(25(3,4)35)20(33)21(17)34/h5-8,10-11,16-17,20-21,33-35H,9H2,1-4H3,(H2,27,28,29,30,32)/p+1/t16-,17+,20+,21-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302992 (US9598440, 133) Show SMILES Cc1csc(n1)-c1cnc(Nc2cc(C)nc(C)c2)nc1N[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)C(C)(C)O |r| Show InChI InChI=1S/C23H30N6O3S/c1-11-6-14(7-12(2)25-11)27-22-24-9-15(21-26-13(3)10-33-21)20(29-22)28-17-8-16(23(4,5)32)18(30)19(17)31/h6-7,9-10,16-19,30-32H,8H2,1-5H3,(H2,24,25,27,28,29)/t16-,17+,18+,19-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302983 (US9598440, 124) Show SMILES Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C27H30N6O3/c1-15-12-17(10-11-28-15)30-26-29-14-18(21-9-8-16-6-4-5-7-20(16)31-21)25(33-26)32-22-13-19(27(2,3)36)23(34)24(22)35/h4-12,14,19,22-24,34-36H,13H2,1-3H3,(H2,28,29,30,32,33)/p+1/t19-,22+,23+,24-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068540 (CHEMBL3403457 | US9598440, 68) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-16-3-4-24-9-18(16)34-22)21(30-23)28-17-7-13(10-31)19(32)20(17)33/h3-6,8-9,13,17,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,17-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302970 (US9598440, 111) Show SMILES Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r| Show InChI InChI=1S/C28H32N6O3/c1-15-11-18(12-16(2)30-15)31-27-29-14-19(22-10-9-17-7-5-6-8-21(17)32-22)26(34-27)33-23-13-20(28(3,4)37)24(35)25(23)36/h5-12,14,20,23-25,35-37H,13H2,1-4H3,(H2,29,30,31,33,34)/p+1/t20-,23+,24+,25-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068538 (CHEMBL3403455 | US9598440, 9) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C24H26N6O3S/c1-12-7-15(8-13(2)26-12)27-24-25-10-16(23-29-17-5-3-4-6-19(17)34-23)22(30-24)28-18-9-14(11-31)20(32)21(18)33/h3-8,10,14,18,20-21,31-33H,9,11H2,1-2H3,(H2,25,26,27,28,30)/t14-,18-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302997 (US9598440, 138) Show SMILES Cc1cc(Nc2ncc(-c3nc4c(C)nccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r| Show InChI InChI=1S/C26H31N7O3S/c1-12-8-15(9-13(2)29-12)30-25-28-11-16(24-32-20-14(3)27-7-6-19(20)37-24)23(33-25)31-18-10-17(26(4,5)36)21(34)22(18)35/h6-9,11,17-18,21-22,34-36H,10H2,1-5H3,(H2,28,29,30,31,33)/p+1/t17-,18+,21+,22-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302929 (US9598440, 67) Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C23H25N7O3S/c1-11-5-14(6-12(2)26-11)27-23-25-8-15(22-29-17-9-24-4-3-18(17)34-22)21(30-23)28-16-7-13(10-31)19(32)20(16)33/h3-6,8-9,13,16,19-20,31-33H,7,10H2,1-2H3,(H2,25,26,27,28,30)/t13-,16-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302995 (US9598440, 136) Show SMILES COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C24H27N7O4S/c1-24(2,34)14-9-15(20(33)19(14)32)29-21-13(22-30-16-11-25-6-5-17(16)36-22)10-27-23(31-21)28-12-4-7-26-18(8-12)35-3/h4-8,10-11,14-15,19-20,32-34H,9H2,1-3H3,(H2,26,27,28,29,31)/p+1/t14-,15+,19+,20-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302921 (US9598440, 59) Show SMILES Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3/c1-14-9-18(10-15(2)28-14)29-26-27-12-19(21-8-7-16-5-3-4-6-20(16)30-21)25(32-26)31-22-11-17(13-33)23(34)24(22)35/h3-10,12,17,22-24,33-35H,11,13H2,1-2H3,(H2,27,28,29,31,32)/p+1/t17-,22-,23-,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
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302994 (US9598440, 135) Show SMILES COc1cc(Nc2ncc(-c3nc(C)cs3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)ccn1 |r| Show InChI InChI=1S/C22H28N6O4S/c1-11-10-33-20(25-11)13-9-24-21(26-12-5-6-23-16(7-12)32-4)28-19(13)27-15-8-14(22(2,3)31)17(29)18(15)30/h5-7,9-10,14-15,17-18,29-31H,8H2,1-4H3,(H2,23,24,26,27,28)/t14-,15+,17+,18-/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
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068461 (CHEMBL3403439 | US9598440, 83) Show SMILES Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C16H18N6O3S/c17-16-19-5-8(14-21-9-2-1-3-18-15(9)26-14)13(22-16)20-10-4-7(6-23)11(24)12(10)25/h1-3,5,7,10-12,23-25H,4,6H2,(H3,17,19,20,22)/t7-,10-,11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068537 (CHEMBL3403454 | US9598440, 31) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r| Show InChI InChI=1S/C23H24N6O3S/c1-12-8-14(6-7-24-12)26-23-25-10-15(22-28-16-4-2-3-5-18(16)33-22)21(29-23)27-17-9-13(11-30)19(31)20(17)32/h2-8,10,13,17,19-20,30-32H,9,11H2,1H3,(H2,24,25,26,27,29)/t13-,17-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302988 (US9598440, 129) Show SMILES CC(C)(O)[C@H]1C[C@@H](Nc2nc(Nc3cccc(c3)C(N)=O)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C26H28N6O4S/c1-26(2,36)16-11-18(21(34)20(16)33)30-23-15(24-31-17-8-3-4-9-19(17)37-24)12-28-25(32-23)29-14-7-5-6-13(10-14)22(27)35/h3-10,12,16,18,20-21,33-34,36H,11H2,1-2H3,(H2,27,35)(H2,28,29,30,32)/t16-,18+,20+,21-/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302937 (US9598440, 75) Show SMILES COc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C22H23N7O4S/c1-33-17-7-12(2-5-24-17)26-22-25-8-13(21-28-14-3-4-23-9-16(14)34-21)20(29-22)27-15-6-11(10-30)18(31)19(15)32/h2-5,7-9,11,15,18-19,30-32H,6,10H2,1H3,(H2,24,25,26,27,29)/p+1/t11-,15-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM303007 (US9598440, 148) Show SMILES CO[C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C26H28N6O4S/c1-13-9-15(10-14(2)28-13)29-26-27-12-17(24-31-18-7-5-6-8-20(18)37-24)23(32-26)30-19-11-16(25(34)36-4)21(33)22(19)35-3/h5-10,12,16,19,21-22,33H,11H2,1-4H3,(H2,27,28,29,30,32)/t16-,19+,21+,22-/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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM303008 (US9598440, 149) Show SMILES CO[C@H]1[C@@H](C[C@@H]([C@H]1O)C(C)(C)O)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H32N6O3S/c1-14-10-16(11-15(2)29-14)30-26-28-13-17(25-32-19-8-6-7-9-21(19)37-25)24(33-26)31-20-12-18(27(3,4)35)22(34)23(20)36-5/h6-11,13,18,20,22-23,34-35H,12H2,1-5H3,(H2,28,29,30,31,33)/t18-,20+,22+,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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302907 (US9598440, 45) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r| Show InChI InChI=1S/C28H33N7O3S/c1-34-9-11-35(12-10-34)19-6-4-5-18(14-19)30-28-29-15-20(27-32-21-7-2-3-8-23(21)39-27)26(33-28)31-22-13-17(16-36)24(37)25(22)38/h2-8,14-15,17,22,24-25,36-38H,9-13,16H2,1H3,(H2,29,30,31,33)/t17-,22-,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM303022 (US9598440, 164) Show SMILES Cc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2ccc3ccccc3n2)cc(C)n1 |r| Show InChI InChI=1S/C29H33N5O3/c1-16-11-19(12-17(2)31-16)32-26-14-24(34-25-13-21(29(3,4)37)27(35)28(25)36)20(15-30-26)23-10-9-18-7-5-6-8-22(18)33-23/h5-12,14-15,21,25,27-28,35-37H,13H2,1-4H3,(H2,30,31,32,34)/t21-,25+,27+,28-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM303003 (US9598440, 144) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CF)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C24H25FN6O2S/c1-12-7-15(8-13(2)27-12)28-24-26-11-16(23-30-17-5-3-4-6-19(17)34-23)22(31-24)29-18-9-14(10-25)20(32)21(18)33/h3-8,11,14,18,20-21,32-33H,9-10H2,1-2H3,(H2,26,27,28,29,31)/t14-,18-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302906 (US9598440, 44) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r| Show InChI InChI=1S/C28H33N7O3S/c1-34-10-12-35(13-11-34)19-8-6-18(7-9-19)30-28-29-15-20(27-32-21-4-2-3-5-23(21)39-27)26(33-28)31-22-14-17(16-36)24(37)25(22)38/h2-9,15,17,22,24-25,36-38H,10-14,16H2,1H3,(H2,29,30,31,33)/t17-,22-,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	3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50108087 (CHEMBL3601071 | US9598440, 69) Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r| Show InChI InChI=1S/C22H23N7O3S/c1-11-6-13(2-5-24-11)26-22-25-8-14(21-28-16-9-23-4-3-17(16)33-21)20(29-22)27-15-7-12(10-30)18(31)19(15)32/h2-6,8-9,12,15,18-19,30-32H,7,10H2,1H3,(H2,24,25,26,27,29)/t12-,15-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302973 (US9598440, 114) Show SMILES CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccnc(c3)C#N)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H25N7O3S/c1-25(2,35)16-10-18(21(34)20(16)33)30-22-15(23-31-17-5-3-4-6-19(17)36-23)12-28-24(32-22)29-13-7-8-27-14(9-13)11-26/h3-9,12,16,18,20-21,33-35H,10H2,1-2H3,(H2,27,28,29,30,32)/p+1/t16-,18+,20+,21-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302932 (US9598440, 70) Show SMILES Cc1cc([NH2+]c2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/p+1/t17-,20-,22-,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	4	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302971 (US9598440, 112) Show SMILES COc1cc(Nc2ncc(c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)-c2ccc3ccccc3n2)ccn1 |r| Show InChI InChI=1S/C27H30N6O4/c1-27(2,36)18-13-21(24(35)23(18)34)32-25-17(20-9-8-15-6-4-5-7-19(15)31-20)14-29-26(33-25)30-16-10-11-28-22(12-16)37-3/h4-12,14,18,21,23-24,34-36H,13H2,1-3H3,(H2,28,29,30,32,33)/p+1/t18-,21+,23+,24-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50108086 (CHEMBL3601072 | US9598440, 66) Show SMILES CN(C)c1ccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r| Show InChI InChI=1S/C24H27N7O3S/c1-31(2)15-5-3-14(4-6-15)27-24-26-10-16(23-29-18-11-25-8-7-19(18)35-23)22(30-24)28-17-9-13(12-32)20(33)21(17)34/h3-8,10-11,13,17,20-21,32-34H,9,12H2,1-2H3,(H2,26,27,28,30)/t13-,17-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302869 (US9598440, 7) Show SMILES COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r| Show InChI InChI=1S/C23H24N6O4S/c1-33-18-9-13(6-7-24-18)26-23-25-10-14(22-28-15-4-2-3-5-17(15)34-22)21(29-23)27-16-8-12(11-30)19(31)20(16)32/h2-7,9-10,12,16,19-20,30-32H,8,11H2,1H3,(H2,24,25,26,27,29)/t12-,16-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068539 (CHEMBL3403456 | US9598440, 26) Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H21N7O3S/c29-9-11-5-15(18(31)17(11)30)26-19-13(20-27-14-3-1-2-4-16(14)32-20)8-24-21(28-19)25-12-6-22-10-23-7-12/h1-4,6-8,10-11,15,17-18,29-31H,5,9H2,(H2,24,25,26,28)/t11-,15-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302890 (US9598440, 27) Show SMILES NC(=O)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r| Show InChI InChI=1S/C24H24N6O4S/c25-21(34)12-4-3-5-14(8-12)27-24-26-10-15(23-29-16-6-1-2-7-18(16)35-23)22(30-24)28-17-9-13(11-31)19(32)20(17)33/h1-8,10,13,17,19-20,31-33H,9,11H2,(H2,25,34)(H2,26,27,28,30)/t13-,17-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302877 (US9598440, 14) Show SMILES NC(=O)Cc1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r| Show InChI InChI=1S/C25H26N6O4S/c26-20(33)9-13-4-3-5-15(8-13)28-25-27-11-16(24-30-17-6-1-2-7-19(17)36-24)23(31-25)29-18-10-14(12-32)21(34)22(18)35/h1-8,11,14,18,21-22,32,34-35H,9-10,12H2,(H2,26,33)(H2,27,28,29,31)/t14-,18-,21-,22+/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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302864 (US9598440, 2) Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3ccc(O)cc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23N5O4S/c29-11-12-9-17(20(32)19(12)31)26-21-15(22-27-16-3-1-2-4-18(16)33-22)10-24-23(28-21)25-13-5-7-14(30)8-6-13/h1-8,10,12,17,19-20,29-32H,9,11H2,(H2,24,25,26,28)/t12-,17-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM303017 (US9598440, 159) Show SMILES Cc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2nc3ccccc3s2)cc(C)n1 |r| Show InChI InChI=1S/C27H31N5O3S/c1-14-9-16(10-15(2)29-14)30-23-12-20(31-21-11-18(27(3,4)35)24(33)25(21)34)17(13-28-23)26-32-19-7-5-6-8-22(19)36-26/h5-10,12-13,18,21,24-25,33-35H,11H2,1-4H3,(H2,28,29,30,31)/t18-,21+,24+,25-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302936 (US9598440, 74) Show SMILES OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H20N8O3S/c29-8-10-3-14(17(31)16(10)30)26-18-12(19-27-13-1-2-21-7-15(13)32-19)6-24-20(28-18)25-11-4-22-9-23-5-11/h1-2,4-7,9-10,14,16-17,29-31H,3,8H2,(H2,24,25,26,28)/p+1/t10-,14-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302912 (US9598440, 50) Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r,$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C24H23N7O3S/c32-11-13-8-18(21(34)20(13)33)28-22-15(23-29-17-3-1-2-4-19(17)35-23)10-25-24(30-22)27-14-5-6-16-12(7-14)9-26-31-16/h1-7,9-10,13,18,20-21,32-34H,8,11H2,(H,26,31)(H2,25,27,28,30)/t13-,18-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302933 (US9598440, 71) Show SMILES COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C22H23N7O4S/c1-33-17-7-12(2-5-24-17)26-22-25-8-13(21-28-15-9-23-4-3-16(15)34-21)20(29-22)27-14-6-11(10-30)18(31)19(14)32/h2-5,7-9,11,14,18-19,30-32H,6,10H2,1H3,(H2,24,25,26,27,29)/p+1/t11-,14-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50068534 (CHEMBL3403451 | US9598440, 18) Show SMILES OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H29N5O3S/c29-12-13-10-17(20(31)19(13)30)26-21-15(22-27-16-8-4-5-9-18(16)32-22)11-24-23(28-21)25-14-6-2-1-3-7-14/h4-5,8-9,11,13-14,17,19-20,29-31H,1-3,6-7,10,12H2,(H2,24,25,26,28)/t13-,17-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50108016 (CHEMBL3601083 | US9598440, 41) Show SMILES Cc1cc(Nc2ncc(-c3cscn3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C20H24N6O3S/c1-10-3-13(4-11(2)23-10)24-20-21-6-14(16-8-30-9-22-16)19(26-20)25-15-5-12(7-27)17(28)18(15)29/h3-4,6,8-9,12,15,17-18,27-29H,5,7H2,1-2H3,(H2,21,23,24,25,26)/t12-,15-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302941 (US9598440, 79) Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C25H26N6O3S/c1-14-9-17(7-8-26-14)28-25-27-11-18(24-30-20(13-35-24)15-5-3-2-4-6-15)23(31-25)29-19-10-16(12-32)21(33)22(19)34/h2-9,11,13,16,19,21-22,32-34H,10,12H2,1H3,(H2,26,27,28,29,31)/p+1/t16-,19-,21-,22+/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	8	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302920 (US9598440, 58) Show SMILES COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)ccn1 |r| Show InChI InChI=1S/C25H26N6O4/c1-35-21-11-16(8-9-26-21)28-25-27-12-17(19-7-6-14-4-2-3-5-18(14)29-19)24(31-25)30-20-10-15(13-32)22(33)23(20)34/h2-9,11-12,15,20,22-23,32-34H,10,13H2,1H3,(H2,26,27,28,30,31)/p+1/t15-,20-,22-,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	8	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302968 (US9598440, 107) Show SMILES Cc1cc(Nc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r| Show InChI InChI=1S/C27H32N6O3S/c1-13-10-16(11-14(2)28-13)30-26-29-15(3)21(25-32-18-8-6-7-9-20(18)37-25)24(33-26)31-19-12-17(27(4,5)36)22(34)23(19)35/h6-11,17,19,22-23,34-36H,12H2,1-5H3,(H2,28,29,30,31,33)/p+1/t17-,19+,22+,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	8	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302939 (US9598440, 77) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C22H23N7O3S/c1-11-6-13(2-5-24-11)26-22-25-8-14(21-28-15-3-4-23-9-17(15)33-21)20(29-22)27-16-7-12(10-30)18(31)19(16)32/h2-6,8-9,12,16,18-19,30-32H,7,10H2,1H3,(H2,24,25,26,27,29)/p+1/t12-,16-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302905 (US9598440, 43) Show SMILES COc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cn1 |r| Show InChI InChI=1S/C23H24N6O4S/c1-33-18-7-6-13(9-24-18)26-23-25-10-14(22-28-15-4-2-3-5-17(15)34-22)21(29-23)27-16-8-12(11-30)19(31)20(16)32/h2-7,9-10,12,16,19-20,30-32H,8,11H2,1H3,(H2,25,26,27,29)/t12-,16-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302901 (US9598440, 39) Show SMILES CN(C)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-31(2)16-7-5-6-15(11-16)27-25-26-12-17(24-29-18-8-3-4-9-20(18)35-24)23(30-25)28-19-10-14(13-32)21(33)22(19)34/h3-9,11-12,14,19,21-22,32-34H,10,13H2,1-2H3,(H2,26,27,28,30)/t14-,19-,21-,22+/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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302999 (US9598440, 140) Show SMILES CO[C@H]1[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(Nc2cc(C)nc(C)c2)ncc1-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-13-8-16(9-14(2)27-13)28-25-26-11-17(24-30-18-6-4-5-7-20(18)35-24)23(31-25)29-19-10-15(12-32)21(33)22(19)34-3/h4-9,11,15,19,21-22,32-33H,10,12H2,1-3H3,(H2,26,27,28,29,31)/t15-,19-,21-,22+/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	9	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302985 (US9598440, 126) Show SMILES COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C25H28N6O4S/c1-25(2,34)15-11-17(21(33)20(15)32)29-22-14(23-30-16-6-4-5-7-18(16)36-23)12-27-24(31-22)28-13-8-9-26-19(10-13)35-3/h4-10,12,15,17,20-21,32-34H,11H2,1-3H3,(H2,26,27,28,29,31)/p+1/t15-,17+,20+,21-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302897 (US9598440, 35) Show SMILES Cc1cc(C)cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r| Show InChI InChI=1S/C25H27N5O3S/c1-13-7-14(2)9-16(8-13)27-25-26-11-17(24-29-18-5-3-4-6-20(18)34-24)23(30-25)28-19-10-15(12-31)21(32)22(19)33/h3-9,11,15,19,21-22,31-33H,10,12H2,1-2H3,(H2,26,27,28,30)/t15-,19-,21-,22+/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	10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302899 (US9598440, 37) Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H22N6O3S/c29-11-12-8-16(19(31)18(12)30)26-20-14(21-27-15-5-1-2-6-17(15)32-21)10-24-22(28-20)25-13-4-3-7-23-9-13/h1-7,9-10,12,16,18-19,29-31H,8,11H2,(H2,24,25,26,28)/t12-,16-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302979 (US9598440, 120) Show SMILES CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccnc(c3)C(F)(F)F)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H25F3N6O3S/c1-24(2,37)14-10-16(20(36)19(14)35)32-21-13(22-33-15-5-3-4-6-17(15)38-22)11-30-23(34-21)31-12-7-8-29-18(9-12)25(26,27)28/h3-9,11,14,16,19-20,35-37H,10H2,1-2H3,(H2,29,30,31,32,34)/p+1/t14-,16+,19+,20-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM302891 (US9598440, 29) Show SMILES NC(=O)Cc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r| Show InChI InChI=1S/C25H26N6O4S/c26-20(33)9-13-5-7-15(8-6-13)28-25-27-11-16(24-30-17-3-1-2-4-19(17)36-24)23(31-25)29-18-10-14(12-32)21(34)22(18)35/h1-8,11,14,18,21-22,32,34-35H,9-10,12H2,(H2,26,33)(H2,27,28,29,31)/t14-,18-,21-,22+/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	10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 159 total )  |  Next  |  Last  >>

Jump to: