Compile Data Set for Download or QSAR

Found 746 hits with Last Name = 'zheng' and Initial = 'r'   

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
Sialidase-1 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465968 (CHEMBL4291908) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25NO8/c1-2-3-4-5-11(20)16-12-8(18)6-10(15(22)23)24-14(12)13(21)9(19)7-17/h6,8-9,12-14,17-19,21H,2-5,7H2,1H3,(H,16,20)(H,22,23)/t8-,9+,12+,13+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50465979 (CHEMBL4281290) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C14H23NO8/c1-2-3-4-10(19)15-11-7(17)5-9(14(21)22)23-13(11)12(20)8(18)6-16/h5,7-8,11-13,16-18,20H,2-4,6H2,1H3,(H,15,19)(H,21,22)/t7-,8+,11+,12+,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM50270454 (CHEMBL4076483) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:3| Show InChI InChI=1S/C16H26N2O8/c1-3-4-5-12(22)17-7-10(21)14(23)15-13(18-8(2)19)9(20)6-11(26-15)16(24)25/h6,9-10,13-15,20-21,23H,3-5,7H2,1-2H3,(H,17,22)(H,18,19)(H,24,25)/t9-,10+,13+,14+,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Non-competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465983 (CHEMBL4277689) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(=O)CCC(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C16H28N4O7/c1-7(2)3-4-11(23)20-12-8(19-16(17)18)5-10(15(25)26)27-14(12)13(24)9(22)6-21/h5,7-9,12-14,21-22,24H,3-4,6H2,1-2H3,(H,20,23)(H,25,26)(H4,17,18,19)/t8-,9+,12+,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate for 1...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465984 (CHEMBL4278858) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(N)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13+,16+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50465985 (CHEMBL4280792) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccc(C)cc1)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H24N4O8/c1-10-2-4-11(5-3-10)12-7-24(23-22-12)8-16(28)21-17-13(26)6-15(20(30)31)32-19(17)18(29)14(27)9-25/h2-7,13-14,17-19,25-27,29H,8-9H2,1H3,(H,21,28)(H,30,31)/t13-,14+,17+,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-4 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-4 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50399676 (CHEMBL2178352 | US9096601, 8-26) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR by radiometric kinase assay				J Med Chem 55: 10685-99 (2012) Article DOI: 10.1021/jm301365e BindingDB Entry DOI: 10.7270/Q2251KBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50399676 (CHEMBL2178352 | US9096601, 8-26) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR by radiometric kinase assay				J Med Chem 55: 10685-99 (2012) Article DOI: 10.1021/jm301365e BindingDB Entry DOI: 10.7270/Q2251KBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50386751 (CHEMBL2046884) Show SMILES O=C(Nc1nnc(Sc2ncnc3cc(OCCCN4CCOCC4)ccc23)s1)Nc1cccc(c1)C#C Show InChI InChI=1S/C26H25N7O3S2/c1-2-18-5-3-6-19(15-18)29-24(34)30-25-31-32-26(38-25)37-23-21-8-7-20(16-22(21)27-17-28-23)36-12-4-9-33-10-13-35-14-11-33/h1,3,5-8,15-17H,4,9-14H2,(H2,29,30,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human FLT3				J Med Chem 55: 3852-66 (2012) Article DOI: 10.1021/jm300042x BindingDB Entry DOI: 10.7270/Q2M61M94
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50386750 (CHEMBL2046699) Show SMILES COc1cc2ncnc(Sc3nccs3)c2cc1OC Show InChI InChI=1S/C13H11N3O2S2/c1-17-10-5-8-9(6-11(10)18-2)15-7-16-12(8)20-13-14-3-4-19-13/h3-7H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human FLT3				J Med Chem 55: 3852-66 (2012) Article DOI: 10.1021/jm300042x BindingDB Entry DOI: 10.7270/Q2M61M94
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50502595 (CHEMBL4554065) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2nnc(s2)C2CCC2)cn1 |r,wU:7.10,wD:4.3,(51.91,-2.96,;50.57,-3.73,;50.58,-5.27,;49.24,-2.97,;47.91,-3.74,;46.57,-2.97,;45.23,-3.74,;45.24,-5.28,;46.58,-6.05,;47.91,-5.28,;43.92,-6.05,;43.92,-7.59,;42.59,-8.37,;41.25,-7.6,;41.25,-6.06,;42.57,-5.29,;39.93,-8.37,;38.58,-7.6,;37.26,-8.38,;37.27,-9.92,;35.94,-10.69,;34.6,-9.92,;33.19,-10.55,;32.16,-9.41,;32.93,-8.07,;34.44,-8.39,;32.3,-6.66,;32.85,-5.23,;31.41,-4.68,;30.86,-6.12,;38.6,-10.68,;39.93,-9.91,)| Show InChI InChI=1S/C25H28N4O2S/c30-23(31)14-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22-13-12-21(15-26-22)27-25-29-28-24(32-25)20-2-1-3-20/h8-13,15-17,20H,1-7,14H2,(H,27,29)(H,30,31)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human his-tagged DGAT1 expressed in Sf9 insect cells using oleoyl-CoA and diolein as substrates incubated for 30 mins by LC...				ACS Med Chem Lett 10: 1128-1133 (2019) Article DOI: 10.1021/acsmedchemlett.9b00117 BindingDB Entry DOI: 10.7270/Q28W3HJK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50386748 (CHEMBL2046726) Show SMILES COc1cc2ncnc(Sc3nncs3)c2cc1OC Show InChI InChI=1S/C12H10N4O2S2/c1-17-9-3-7-8(4-10(9)18-2)13-5-14-11(7)20-12-16-15-6-19-12/h3-6H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human FLT3				J Med Chem 55: 3852-66 (2012) Article DOI: 10.1021/jm300042x BindingDB Entry DOI: 10.7270/Q2M61M94
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50386749 (CHEMBL2046883) Show SMILES Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1 Show InChI InChI=1S/C25H27N7O3S2/c1-17-3-5-18(6-4-17)28-23(33)29-24-30-31-25(37-24)36-22-20-8-7-19(15-21(20)26-16-27-22)35-12-2-9-32-10-13-34-14-11-32/h3-8,15-16H,2,9-14H2,1H3,(H2,28,29,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human FLT3				J Med Chem 55: 3852-66 (2012) Article DOI: 10.1021/jm300042x BindingDB Entry DOI: 10.7270/Q2M61M94
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50399676 (CHEMBL2178352 | US9096601, 8-26) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 by radiometric kinase assay				J Med Chem 55: 10685-99 (2012) Article DOI: 10.1021/jm301365e BindingDB Entry DOI: 10.7270/Q2251KBV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50399676 (CHEMBL2178352 | US9096601, 8-26) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant ERBB4 by radiometric kinase assay				J Med Chem 55: 10685-99 (2012) Article DOI: 10.1021/jm301365e BindingDB Entry DOI: 10.7270/Q2251KBV
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50502590 (CHEMBL4434994) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cn1 |r,wU:7.10,wD:4.3,(26.75,-35.82,;25.42,-36.6,;25.42,-38.14,;24.09,-35.83,;22.75,-36.6,;21.42,-35.83,;20.08,-36.6,;20.09,-38.14,;21.43,-38.91,;22.75,-38.14,;18.76,-38.91,;18.77,-40.45,;17.44,-41.23,;16.1,-40.46,;16.09,-38.92,;17.42,-38.15,;14.77,-41.23,;13.43,-40.46,;12.1,-41.24,;12.12,-42.78,;10.78,-43.55,;9.45,-42.78,;8.04,-43.41,;7.01,-42.27,;7.77,-40.93,;9.28,-41.25,;7.15,-39.52,;7.69,-38.09,;6.25,-37.54,;5.7,-38.98,;13.44,-43.54,;14.78,-42.77,)| Show InChI InChI=1S/C25H28N4O3/c30-23(31)14-16-4-6-17(7-5-16)18-8-10-19(11-9-18)22-13-12-21(15-26-22)27-25-29-28-24(32-25)20-2-1-3-20/h8-13,15-17,20H,1-7,14H2,(H,27,29)(H,30,31)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human his-tagged DGAT1 expressed in Sf9 insect cells using oleoyl-CoA and diolein as substrates incubated for 30 mins by LC...				ACS Med Chem Lett 10: 1128-1133 (2019) Article DOI: 10.1021/acsmedchemlett.9b00117 BindingDB Entry DOI: 10.7270/Q28W3HJK
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50502586 (LCQ-908-NXA | LCQ-908NXA | LCQ908-NXA | Pradigasta...) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 |r,wU:4.3,wD:7.10,(-2.34,-12.23,;-2.34,-10.69,;-3.68,-9.92,;-1.01,-9.92,;-1.01,-8.38,;-2.34,-7.61,;-2.34,-6.07,;-1.01,-5.3,;.32,-6.07,;.32,-7.61,;-1.01,-3.76,;-2.34,-2.99,;-2.34,-1.45,;-1.01,-.68,;.32,-1.45,;.32,-2.99,;-1.01,.86,;-2.34,1.63,;-2.34,3.17,;-1.01,3.94,;-1.01,5.48,;.32,6.25,;.32,7.79,;1.66,8.56,;2.99,7.79,;2.99,6.25,;1.66,5.48,;4.32,8.56,;5.66,9.33,;5.09,7.23,;3.55,9.9,;.32,3.17,;.32,1.63,)| Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human his-tagged DGAT1 expressed in Sf9 insect cells using oleoyl-CoA and diolein as substrates incubated for 30 mins by LC...				ACS Med Chem Lett 10: 1128-1133 (2019) Article DOI: 10.1021/acsmedchemlett.9b00117 BindingDB Entry DOI: 10.7270/Q28W3HJK
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50399676 (CHEMBL2178352 | US9096601, 8-26) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant ERBB2 by radiometric kinase assay				J Med Chem 55: 10685-99 (2012) Article DOI: 10.1021/jm301365e BindingDB Entry DOI: 10.7270/Q2251KBV
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50502585 (CHEMBL4446248) Show SMILES OC(=O)CC12CCC(CC1)(CO2)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1 |(78.38,-14.6,;77.05,-15.37,;77.05,-16.91,;75.72,-14.6,;74.38,-15.37,;74.38,-16.91,;73.06,-17.68,;71.72,-16.91,;71.71,-15.38,;73.05,-14.6,;72.47,-15.57,;73.56,-16.66,;70.39,-17.69,;70.4,-19.23,;69.07,-20,;67.73,-19.23,;67.72,-17.7,;69.05,-16.92,;66.4,-20.01,;66.41,-21.55,;65.07,-22.32,;63.75,-21.55,;62.41,-22.32,;61.08,-21.56,;59.67,-22.19,;58.64,-21.05,;59.41,-19.71,;60.91,-20.03,;58.78,-18.31,;59.33,-16.87,;57.9,-16.32,;57.35,-17.76,;63.73,-20.02,;65.06,-19.24,)| Show InChI InChI=1S/C27H29N3O4/c31-23(32)16-27-14-12-26(13-15-27,17-33-27)21-8-4-18(5-9-21)19-6-10-22(11-7-19)28-25-30-29-24(34-25)20-2-1-3-20/h4-11,20H,1-3,12-17H2,(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human his-tagged DGAT1 expressed in Sf9 insect cells using oleoyl-CoA and diolein as substrates incubated for 30 mins by LC...				ACS Med Chem Lett 10: 1128-1133 (2019) Article DOI: 10.1021/acsmedchemlett.9b00117 BindingDB Entry DOI: 10.7270/Q28W3HJK
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494592 (US10988482, Compound 96) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Oc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:6.9,wD:3.2,(-5.99,-4.62,;-5.99,-3.08,;-7.32,-2.31,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)| Show InChI InChI=1S/C18H23N5OS2/c1-11-10-15(26-22-11)20-18-19-14-8-9-25-16(14)17(21-18)24-13-6-4-12(5-7-13)23(2)3/h8-10,12-13H,4-7H2,1-3H3,(H,19,20,21)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494590 (US10988482, Compound 94) Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:8.11,wD:5.4,(-8.65,-3.08,;-7.32,-2.31,;-5.99,-3.08,;-5.99,-4.62,;-7.32,-5.39,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)| Show InChI InChI=1S/C20H28N6S2/c1-4-26(5-2)15-8-6-14(7-9-15)21-19-18-16(10-11-27-18)22-20(24-19)23-17-12-13(3)25-28-17/h10-12,14-15H,4-9H2,1-3H3,(H2,21,22,23,24)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494591 (US10988482, Compound 95) Show SMILES CN(C)[C@@H]1CC[C@@H](CC1)Oc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:3.2,6.9,(-5.99,-4.62,;-5.99,-3.08,;-7.32,-2.31,;-4.65,-2.31,;-3.32,-3.08,;-1.98,-2.31,;-1.98,-.77,;-3.32,,;-4.65,-.77,;-.65,,;-.65,1.54,;.68,2.31,;.68,3.85,;2.02,4.62,;3.35,3.85,;4.76,4.48,;5.79,3.33,;7.32,3.49,;5.02,2,;3.51,2.32,;-.65,4.62,;-1.98,3.85,;-3.45,4.33,;-4.35,3.08,;-3.45,1.83,;-1.98,2.31,)| Show InChI InChI=1S/C18H23N5OS2/c1-11-10-15(26-22-11)20-18-19-14-8-9-25-16(14)17(21-18)24-13-6-4-12(5-7-13)23(2)3/h8-10,12-13H,4-7H2,1-3H3,(H,19,20,21)/t12-,13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494587 (US10988482, Compound 91) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc(C)ns2)nc2ccsc12 |r,wU:6.9,wD:3.2,(-4,-6.93,;-4,-5.39,;-5.33,-4.62,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.74,2.17,;7.77,1.02,;9.3,1.18,;7,-.31,;5.5,.01,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;)| Show InChI InChI=1S/C18H24N6S2/c1-11-10-15(26-23-11)21-18-20-14-8-9-25-16(14)17(22-18)19-12-4-6-13(7-5-12)24(2)3/h8-10,12-13H,4-7H2,1-3H3,(H2,19,20,21,22)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494579 (US10988482, Compound 83) Show SMILES Cc1cc(Nc2nc(NC3CC[C@H](N)CC3)c3sccc3n2)sn1 |r,wD:12.12,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-3.04,-3.31,;-4.38,-4.08,;-5.71,-3.31,;-7.04,-4.08,;-5.71,-1.77,;-4.38,-1,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)| Show InChI InChI=1S/C16H20N6S2/c1-9-8-13(24-22-9)20-16-19-12-6-7-23-14(12)15(21-16)18-11-4-2-10(17)3-5-11/h6-8,10-11H,2-5,17H2,1H3,(H2,18,19,20,21)/t10-,11?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494575 (US10988482, Compound 79 | US10988482, Compound 82) Show SMILES Cc1cc(Nc2nc(N[C@@H]3CC[C@H](N)CC3)c3sccc3n2)sn1 |r,wU:9.8,12.12,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-4.38,-1,;-5.71,-1.77,;-5.71,-3.31,;-7.04,-4.08,;-4.38,-4.08,;-3.04,-3.31,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)| Show InChI InChI=1S/C16H20N6S2/c1-9-8-13(24-22-9)20-16-19-12-6-7-23-14(12)15(21-16)18-11-4-2-10(17)3-5-11/h6-8,10-11H,2-5,17H2,1H3,(H2,18,19,20,21)/t10-,11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494574 (US10988482, Compound 78) Show SMILES Cc1cc(Nc2nc(N[C@@H]3C[C@H](N)C3)c3sccc3n2)sn1 |r,wU:11.11,9.8,(6.26,2.5,;4.73,2.34,;3.7,3.48,;2.29,2.85,;.96,3.62,;-.37,2.85,;-.37,1.31,;-1.71,.54,;-1.71,-1,;-3.04,-1.77,;-4.53,-1.37,;-4.93,-2.85,;-6.26,-3.62,;-3.44,-3.25,;-3.04,1.31,;-4.51,.84,;-5.41,2.08,;-4.51,3.33,;-3.04,2.85,;-1.71,3.62,;2.45,1.32,;3.96,1,)| Show InChI InChI=1S/C14H16N6S2/c1-7-4-11(22-20-7)18-14-17-10-2-3-21-12(10)13(19-14)16-9-5-8(15)6-9/h2-4,8-9H,5-6,15H2,1H3,(H2,16,17,18,19)/t8-,9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494573 (US10988482, Compound 77) Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@H](N)C3)c3sccc3n2)sn1 |r,wU:9.8,wD:11.11,(9.3,1.18,;7.77,1.02,;6.74,2.17,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;-.4,-4.57,;-1.89,-4.17,;-3.22,-4.94,;-1.49,-2.68,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.5,.01,;7,-.31,)| Show InChI InChI=1S/C14H16N6S2/c1-7-4-11(22-20-7)18-14-17-10-2-3-21-12(10)13(19-14)16-9-5-8(15)6-9/h2-4,8-9H,5-6,15H2,1H3,(H2,16,17,18,19)/t8-,9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494555 (US10988482, Compound 59) Show SMILES CN1CCC(CC1)NC(=O)c1cc(Nc2nc(N[C@H]3CC[C@](C)(O)CC3)c3sccc3n2)sn1 |r,wU:18.18,21.22,wD:21.23,(11.89,1.98,;10.36,1.82,;9.74,.41,;8.2,.25,;7.3,1.5,;7.92,2.91,;9.46,3.07,;5.77,1.34,;4.86,2.58,;5.49,3.99,;3.33,2.42,;2.3,3.57,;.89,2.94,;-.44,3.71,;-1.77,2.94,;-1.77,1.4,;-3.11,.63,;-3.11,-.91,;-4.44,-1.68,;-4.44,-3.22,;-5.78,-3.99,;-7.11,-3.22,;-8.44,-2.45,;-8.44,-3.99,;-7.11,-1.68,;-5.78,-.91,;-4.44,1.4,;-5.91,.92,;-6.81,2.17,;-5.91,3.42,;-4.44,2.94,;-3.11,3.71,;1.05,1.41,;2.56,1.09,)| Show InChI InChI=1S/C23H31N7O2S2/c1-23(32)8-3-14(4-9-23)24-20-19-16(7-12-33-19)26-22(28-20)27-18-13-17(29-34-18)21(31)25-15-5-10-30(2)11-6-15/h7,12-15,32H,3-6,8-11H2,1-2H3,(H,25,31)(H2,24,26,27,28)/t14-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494596 (US10988482, Compound 100) Show SMILES Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-5.32,-4.23,;-6.65,-5,;-7.99,-4.23,;-7.99,-2.69,;-6.65,-1.92,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)| Show InChI InChI=1S/C20H26N6OS2/c1-13-12-17(29-25-13)23-20-22-16-6-11-28-18(16)19(24-20)21-14-2-4-15(5-3-14)26-7-9-27-10-8-26/h6,11-12,14-15H,2-5,7-10H2,1H3,(H2,21,22,23,24)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494595 (US10988482, Compound 99) Show SMILES Cc1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCCC3)c3sccc3n2)sn1 |r,wU:9.8,wD:12.15,(7.99,3.88,;6.45,3.72,;5.42,4.86,;4.02,4.23,;2.68,5,;1.35,4.23,;1.35,2.69,;.02,1.92,;.02,.38,;-1.32,-.38,;-1.32,-1.92,;-2.65,-2.69,;-3.98,-1.92,;-3.98,-.38,;-2.65,.38,;-5.32,-2.69,;-6.73,-2.07,;-7.76,-3.21,;-6.99,-4.55,;-5.48,-4.23,;-1.32,2.69,;-2.78,2.22,;-3.69,3.46,;-2.78,4.71,;-1.32,4.23,;.02,5,;4.18,2.7,;5.68,2.38,)| Show InChI InChI=1S/C20H26N6S2/c1-13-12-17(28-25-13)23-20-22-16-8-11-27-18(16)19(24-20)21-14-4-6-15(7-5-14)26-9-2-3-10-26/h8,11-12,14-15H,2-7,9-10H2,1H3,(H2,21,22,23,24)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM493932 (US10988482, Compound 1) Show SMILES Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c3sccc3n2)sn1 |r,wU:12.12,wD:9.8,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.26,-.24,;.92,-1.01,;.92,-2.55,;-.41,-3.32,;2.26,-3.32,;3.59,-2.55,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)| Show InChI InChI=1S/C16H19N5OS2/c1-9-8-13(24-21-9)19-16-18-12-6-7-23-14(12)15(20-16)17-10-2-4-11(22)5-3-10/h6-8,10-11,22H,2-5H2,1H3,(H2,17,18,19,20)/t10-,11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494210 (US10988482, Compound 2) Show SMILES Cc1cc(Nc2nc(NC3CC(O)C3)c3sccc3n2)sn1 |(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.08,-.69,;1.46,-2.09,;.08,-2.78,;3.27,-2.51,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)| Show InChI InChI=1S/C14H15N5OS2/c1-7-4-11(22-19-7)17-14-16-10-2-3-21-12(10)13(18-14)15-8-5-9(20)6-8/h2-4,8-9,20H,5-6H2,1H3,(H2,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494240 (US10988482, Compound 3) Show SMILES Cc1cc(Nc2nc(NC3C[C@@](C)(O)C3)c3sccc3n2)sn1 |r,wU:11.12,wD:11.11,(5.92,9.54,;6.82,8.29,;6.35,6.83,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;3.59,-1.01,;2.82,-2.34,;1.41,-1.71,;-.05,-2.19,;1.33,-3.25,;2.18,-.38,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;8.84,6.83,;8.36,8.29,)| Show InChI InChI=1S/C15H17N5OS2/c1-8-5-11(23-20-8)18-14-17-10-3-4-22-12(10)13(19-14)16-9-6-15(2,21)7-9/h3-5,9,21H,6-7H2,1-2H3,(H2,16,17,18,19)/t9?,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494334 (US10988482, Compound 4) Show SMILES Cc1cc(Nc2nc(NC3CC[C@@H](O)C3)c3sccc3n2)sn1 |r| Show InChI InChI=1S/C15H17N5OS2/c1-8-6-12(23-20-8)18-15-17-11-4-5-22-13(11)14(19-15)16-9-2-3-10(21)7-9/h4-6,9-10,21H,2-3,7H2,1H3,(H2,16,17,18,19)/t9?,10-/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	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM494435 (US10988482, Compound 7) Show SMILES CC[C@H]1CC(Nc2nc(Nc3cc(C)ns3)nc3ccsc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H21N5O2S2/c1-3-9-7-11(14(24)13(9)23)18-16-15-10(4-5-25-15)19-17(21-16)20-12-6-8(2)22-26-12/h4-6,9,11,13-14,23-24H,3,7H2,1-2H3,(H2,18,19,20,21)/t9-,11?,13+,14-/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	<100	n/a	n/a	n/a	n/a	n/a	n/a
BEIJING HANMI PHARMACEUTICAL CO., LTD. US Patent					Assay Description IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76...				US Patent US10988482 (2021) BindingDB Entry DOI: 10.7270/Q29G5QZC
					More data for this Ligand-Target Pair

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