Compile Data Set for Download or QSAR

Found 1998 hits with Last Name = 'kuna' and Initial = 'k'   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269429 (CHEMBL4084855) Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269428 (CHEMBL4063206) Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269437 (CHEMBL4077376) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269447 (CHEMBL4076186) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269447 (CHEMBL4076186) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269455 (CHEMBL4087402) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269455 (CHEMBL4087402) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269438 (CHEMBL4076060) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269443 (CHEMBL4095848) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269440 (CHEMBL4065818) Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187842 (US9169252, 385) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187402 (US9169252, 3) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H27FN6O3/c1-24(2,33)20(25)14-29-23(32)18-13-27-21(10-19(18)30-17-4-7-34-8-5-17)31-6-3-16-9-15(11-26)12-28-22(16)31/h3,6,9-10,12-13,17,20,33H,4-5,7-8,14H2,1-2H3,(H,27,30)(H,29,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438443 (US10618903, Example 71) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C22H22ClF3N8O2/c1-22(2,36)18(24)8-29-21(35)15-6-27-16(14-7-31-34-9-12(23)4-28-20(14)34)3-17(15)32-13-5-30-33(10-13)11-19(25)26/h3-7,9-10,18-19,36H,8,11H2,1-2H3,(H,27,32)(H,29,35)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187896 (US9169252, 437) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C22H23FN6O3/c1-22(2,31)18(23)10-27-21(30)16-9-25-19(6-17(16)28-15-11-32-12-15)29-4-3-14-5-13(7-24)8-26-20(14)29/h3-6,8-9,15,18,31H,10-12H2,1-2H3,(H,25,28)(H,27,30)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438484 (US10618903, Example 112) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1cnn2cc(cnc12)C#N |r| Show InChI InChI=1S/C25H23FN8O3/c1-25(2,37)21(26)12-31-24(36)18-10-29-19(17-11-32-34-13-14(8-27)9-30-23(17)34)7-20(18)33-16-5-3-15(4-6-16)22(28)35/h3-7,9-11,13,21,37H,12H2,1-2H3,(H2,28,35)(H,29,33)(H,31,36)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187405 (US9169252, 6) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25FN6O2/c1-23(2,32)19(24)13-28-22(31)17-12-26-20(9-18(17)29-16-4-3-5-16)30-7-6-15-8-14(10-25)11-27-21(15)30/h6-9,11-12,16,19,32H,3-5,13H2,1-2H3,(H,26,29)(H,28,31)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187742 (US9169252, 293) Show SMILES CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r| Show InChI InChI=1S/C22H27FN8O2/c1-21(2,3)30-15-7-17(26-10-14(15)20(32)27-11-16(23)22(4,5)33)31-19-13(9-28-31)6-12(8-24)18(25)29-19/h6-7,9-10,16,33H,11H2,1-5H3,(H2,25,29)(H,26,30)(H,27,32)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438455 (US10618903, Example 83 | US10618903, Example 84 | ...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C22H25ClF2N6O2/c1-22(2,33)19(25)10-28-21(32)16-8-26-17(6-18(16)30-14-4-3-13(24)5-14)15-9-29-31-11-12(23)7-27-20(15)31/h6-9,11,13-14,19,33H,3-5,10H2,1-2H3,(H,26,30)(H,28,32)/t13?,14?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438672 (US10618903, Example 239) Show SMILES CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C23H24ClF3N8O2/c1-22(2,37)19(25)9-30-21(36)16-7-28-17(15-8-32-35-10-13(24)5-29-20(15)35)4-18(16)33-14-6-31-34(11-14)12-23(3,26)27/h4-8,10-11,19,37H,9,12H2,1-3H3,(H,28,33)(H,30,36)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438679 (US10618903, Example 246) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C23H24ClFN8O2/c1-23(2,35)20(25)10-28-22(34)17-8-26-18(16-9-30-33-11-13(24)6-27-21(16)33)5-19(17)31-14-7-29-32(12-14)15-3-4-15/h5-9,11-12,15,20,35H,3-4,10H2,1-2H3,(H,26,31)(H,28,34)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438683 (US10618903, Example 250) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCC1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)11-29-23(35)18-9-27-19(17-10-31-34-12-14(25)7-28-22(17)34)6-20(18)32-15-8-30-33(13-15)16-4-3-5-16/h6-10,12-13,16,21,36H,3-5,11H2,1-2H3,(H,27,32)(H,29,35)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438684 (US10618903, Example 251) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC2CC2)c1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C24H26ClFN8O2/c1-24(2,36)21(26)10-29-23(35)18-8-27-19(17-9-31-34-12-15(25)6-28-22(17)34)5-20(18)32-16-7-30-33(13-16)11-14-3-4-14/h5-9,12-14,21,36H,3-4,10-11H2,1-2H3,(H,27,32)(H,29,35)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438686 (US10618903, Example 253) Show SMILES CC(C)(O)CCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnn2cc(Cl)cnc12 Show InChI InChI=1S/C22H23ClF2N8O2/c1-22(2,35)3-4-26-21(34)16-8-27-17(15-9-30-33-10-13(23)6-28-20(15)33)5-18(16)31-14-7-29-32(11-14)12-19(24)25/h5-11,19,35H,3-4,12H2,1-2H3,(H,26,34)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438695 (US10618903, Example 262) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C22H22ClF3N8O2/c1-22(2,36)18(24)9-29-21(35)14-7-27-16(17-8-28-20-3-12(23)5-31-34(17)20)4-15(14)32-13-6-30-33(10-13)11-19(25)26/h3-8,10,18-19,36H,9,11H2,1-2H3,(H,27,32)(H,29,35)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438708 (US10618903, Example 275) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C22H21ClF4N8O2/c1-21(2,37)18(24)9-30-20(36)14-7-28-16(17-8-29-19-3-12(23)5-32-35(17)19)4-15(14)33-13-6-31-34(10-13)11-22(25,26)27/h3-8,10,18,37H,9,11H2,1-2H3,(H,28,33)(H,30,36)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438711 (US10618903, Example 278) Show SMILES CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C24H26FN9O2/c1-4-5-33-14-16(10-30-33)32-18-7-19(20-12-28-22-6-15(8-26)9-31-34(20)22)27-11-17(18)23(35)29-13-21(25)24(2,3)36/h6-7,9-12,14,21,36H,4-5,13H2,1-3H3,(H,27,32)(H,29,35)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438705 (US10618903, Example 272 | US10618903, Example 279) Show SMILES CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnc3cc(cnn23)C#N)cn1 |r| Show InChI InChI=1S/C25H27F2N9O2/c1-24(2,27)14-35-13-16(9-32-35)34-18-6-19(20-11-30-22-5-15(7-28)8-33-36(20)22)29-10-17(18)23(37)31-12-21(26)25(3,4)38/h5-6,8-11,13,21,38H,12,14H2,1-4H3,(H,29,34)(H,31,37)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438631 (US10618903, Example 198 | US10618903, Example 207) Show SMILES CC(C)(O)[C@@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1cnc2cc(Cl)cnn12 |r| Show InChI InChI=1S/C21H24ClFN6O2/c1-20(2,31)17(23)11-26-19(30)13-9-24-15(7-14(13)28-21(3)4-5-21)16-10-25-18-6-12(22)8-27-29(16)18/h6-10,17,31H,4-5,11H2,1-3H3,(H,24,28)(H,26,30)/t17-/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438664 (US10618903, Example 231) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C21H20ClF3N8O2/c1-21(2,35)17(23)8-28-19(34)14-6-26-15(13-7-30-32-9-11(22)4-27-18(13)32)3-16(14)31-12-5-29-33(10-12)20(24)25/h3-7,9-10,17,20,35H,8H2,1-2H3,(H,26,31)(H,28,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438665 (US10618903, Example 232) Show SMILES CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2cnn3cc(Cl)cnc23)cn1 |r| Show InChI InChI=1S/C22H24ClFN8O2/c1-4-31-12-14(7-28-31)30-18-5-17(15-9-29-32-11-13(23)6-26-20(15)32)25-8-16(18)21(33)27-10-19(24)22(2,3)34/h5-9,11-12,19,34H,4,10H2,1-3H3,(H,25,30)(H,27,33)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM438420 (US10618903, Example 48) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-c1cnn2cc(Cl)cnc12 |r| Show InChI InChI=1S/C23H24ClFN8O3/c1-23(2,35)20(25)8-28-22(34)17-6-26-18(16-7-30-33-9-13(24)4-27-21(16)33)3-19(17)31-14-5-29-32(10-14)15-11-36-12-15/h3-7,9-10,15,20,35H,8,11-12H2,1-2H3,(H,26,31)(H,28,34)/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10618903 (2020) BindingDB Entry DOI: 10.7270/Q2251N7B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187515 (US9169252, 109 | US9169252, 110) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C24H26F2N6O2/c1-24(2,34)20(26)13-30-23(33)18-12-28-21(9-19(18)31-17-4-3-16(25)8-17)32-6-5-15-7-14(10-27)11-29-22(15)32/h5-7,9,11-12,16-17,20,34H,3-4,8,13H2,1-2H3,(H,28,31)(H,30,33)/t16?,17?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187861 (US9169252, 404) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)C1CC1)-n1ncc2cc(cnc12)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM188094 (US9169252, 625 | US9169252, 626 | US9169252, 627) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25F2N7O2/c1-23(2,34)19(25)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(24)6-16)32-21-14(10-30-32)5-13(8-26)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269492 (CHEMBL4067532) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13/h2-6,9-10,12,17,22H,7-8,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187438 (US9169252, 39) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r| Show InChI InChI=1S/C20H25FN6O2/c1-12(2)26-15-7-17(27-6-5-13-8-22-11-25-18(13)27)23-9-14(15)19(28)24-10-16(21)20(3,4)29/h5-9,11-12,16,29H,10H2,1-4H3,(H,23,26)(H,24,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187480 (US9169252, 80 | US9169252, 94) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)| Show InChI InChI=1S/C25H29N7O2/c1-15(2)30-21-11-22(32-9-8-18-10-16(12-26)13-29-23(18)32)28-14-20(21)25(34)31-19-6-4-17(5-7-19)24(33)27-3/h8-11,13-15,17,19H,4-7H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187829 (US9169252, 372) Show SMILES CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r| Show InChI InChI=1S/C24H25FN8O2/c1-4-32-14-17(11-30-32)31-19-8-21(33-6-5-16-7-15(9-26)10-28-22(16)33)27-12-18(19)23(34)29-13-20(25)24(2,3)35/h5-8,10-12,14,20,35H,4,13H2,1-3H3,(H,27,31)(H,29,34)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187415 (US9169252, 16) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C26H29FN6O3/c1-24(2,35)20(27)14-31-23(34)18-13-29-21(33-8-3-17-9-16(11-28)12-30-22(17)33)10-19(18)32-25-4-6-26(36,15-25)7-5-25/h3,8-10,12-13,20,35-36H,4-7,14-15H2,1-2H3,(H,29,32)(H,31,34)/t20-,25?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187416 (US9169252, 17) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25FN6O2/c1-22(2,32)18(24)13-28-21(31)16-12-26-19(9-17(16)29-23(3)5-6-23)30-7-4-15-8-14(10-25)11-27-20(15)30/h4,7-9,11-12,18,32H,5-6,13H2,1-3H3,(H,26,29)(H,28,31)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269439 (CHEMBL4077048) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269452 (CHEMBL4105346) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@H](C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H/t17-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187974 (US9169252, 517) Show SMILES CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(O)c1)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C25H22F2N6O2/c1-25(2,27)21(26)14-31-24(35)19-13-29-22(10-20(19)32-17-4-3-5-18(34)9-17)33-7-6-16-8-15(11-28)12-30-23(16)33/h3-10,12-13,21,34H,14H2,1-2H3,(H,29,32)(H,31,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187931 (US9169252, 474) Show SMILES COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r| Show InChI InChI=1S/C25H28FN7O4/c1-25(2,36)20(26)13-30-23(34)18-12-28-21(33-7-4-16-8-15(10-27)11-29-22(16)33)9-19(18)31-17-5-6-32(14-17)24(35)37-3/h4,7-9,11-12,17,20,36H,5-6,13-14H2,1-3H3,(H,28,31)(H,30,34)/t17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187943 (US9169252, 486) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.56,.67,;-8.33,-.66,;-9.1,.67,;-9.66,-1.43,;-7,-1.43,;-7,-2.97,;-5.66,-.66,;-4.33,-1.43,;-2.99,-.66,;-2.99,.88,;-1.66,-1.43,;-1.66,-2.97,;-.33,-3.74,;1.01,-2.97,;1.01,-1.43,;-.33,-.66,;-.33,.88,;1.01,1.65,;1.01,3.19,;2.34,3.96,;3.67,3.19,;3.67,1.65,;2.34,.88,;5.01,3.96,;6.34,3.19,;5.01,5.5,;2.34,-3.74,;2.58,-5.26,;4.1,-5.5,;4.8,-4.13,;6.29,-3.73,;6.69,-2.24,;5.6,-1.15,;4.11,-1.55,;3.71,-3.04,;8.18,-1.84,;9.66,-1.45,)| Show InChI InChI=1S/C26H30FN7O3/c1-26(2,37)21(27)14-32-25(36)19-13-30-22(34-8-7-17-9-15(11-28)12-31-24(17)34)10-20(19)33-18-5-3-16(4-6-18)23(29)35/h7-10,12-13,16,18,21,37H,3-6,14H2,1-2H3,(H2,29,35)(H,30,33)(H,32,36)/t16-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187460 (US9169252, 61) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:4.4,17.17,20.22,wD:20.21,(-8.46,1.5,;-8.46,-.04,;-9.8,.73,;-9.8,-.81,;-7.13,-.81,;-7.13,-2.35,;-5.8,-.04,;-4.46,-.81,;-3.13,-.04,;-3.13,1.5,;-1.79,-.81,;-1.79,-2.35,;-.46,-3.12,;.87,-2.35,;.87,-.81,;-.46,-.04,;-.46,1.5,;.87,2.27,;.87,3.81,;2.21,4.58,;3.54,3.81,;4.31,5.14,;5.08,3.81,;3.54,2.27,;2.21,1.5,;2.21,-3.12,;2.21,-4.66,;3.67,-5.14,;4.58,-3.89,;6.11,-3.73,;6.73,-2.33,;5.83,-1.08,;4.3,-1.24,;3.67,-2.65,;8.27,-2.16,;9.8,-2,)| Show InChI InChI=1S/C26H31FN6O3/c1-25(2,35)21(27)15-31-24(34)19-14-29-22(11-20(19)32-18-4-7-26(3,36)8-5-18)33-9-6-17-10-16(12-28)13-30-23(17)33/h6,9-11,13-14,18,21,35-36H,4-5,7-8,15H2,1-3H3,(H,29,32)(H,31,34)/t18-,21-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187824 (US9169252, 367) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1ncc2cc(Cl)cnc12 |r| Show InChI InChI=1S/C23H25ClF2N8O2/c1-23(2,36)19(26)12-29-22(35)17-11-27-20(34-21-14(8-31-34)6-15(24)9-28-21)7-18(17)32-16-10-30-33(13-16)5-3-4-25/h6-11,13,19,36H,3-5,12H2,1-2H3,(H,27,32)(H,29,35)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187711 (US9169252, 262) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r| Show InChI InChI=1S/C21H25FN8O2/c1-11(2)28-15-6-17(25-9-14(15)20(31)26-10-16(22)21(3,4)32)30-19-13(8-27-30)5-12(7-23)18(24)29-19/h5-6,8-9,11,16,32H,10H2,1-4H3,(H2,24,29)(H,25,28)(H,26,31)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187632 (US9169252, 186) Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(N)nc12 |r| Show InChI InChI=1S/C20H26FN7O2/c1-11(2)26-14-7-16(28-6-5-12-8-25-19(22)27-17(12)28)23-9-13(14)18(29)24-10-15(21)20(3,4)30/h5-9,11,15,30H,10H2,1-4H3,(H,23,26)(H,24,29)(H2,22,25,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM187468 (US9169252, 69) Show SMILES Cn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cc1 |r| Show InChI InChI=1S/C27H25FN10O2/c1-27(2,40)22(28)15-32-26(39)20-14-30-23(38-9-8-18-10-16(12-29)13-31-24(18)38)11-21(20)33-19-6-4-17(5-7-19)25-34-35-36-37(25)3/h4-11,13-14,22,40H,15H2,1-3H3,(H,30,33)(H,32,39)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair

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