Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'chen' and Initial = 'cl'   

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
Neuraminidase (Influenza A virus)	BDBM50401401 (CHEMBL2206459) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)P([#8])([#8])=O |r,c:7| Show InChI InChI=1S/C14H27N4O5P/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401401 (CHEMBL2206459) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)P([#8])([#8])=O |r,c:7| Show InChI InChI=1S/C14H27N4O5P/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM50401401 (CHEMBL2206459) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)P([#8])([#8])=O |r,c:7| Show InChI InChI=1S/C14H27N4O5P/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401400 (CHEMBL2206932) Show SMILES [#6]-[#6]-[#8]P([#8])(=O)[#6]-1=[#6]-[#6@@H](-[#8]-[#6](-[#6]-[#6])-[#6]-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6]-1)\[#7]=[#6](\[#7])-[#7] |r,t:6| Show InChI InChI=1S/C16H31N4O5P/c1-5-11(6-2)25-14-9-12(26(22,23)24-7-3)8-13(20-16(17)18)15(14)19-10(4)21/h9,11,13-15H,5-8H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016375 (CHEMBL3263939) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1c[nH]c2ccccc12 |r,c:7| Show InChI InChI=1S/C24H36N3O5P/c1-4-18(5-2)32-23-14-19(13-21(25)24(23)27-16(3)28)33(29,30)31-12-8-9-17-15-26-22-11-7-6-10-20(17)22/h6-7,10-11,14-15,18,21,23-24,26H,4-5,8-9,12-13,25H2,1-3H3,(H,27,28)(H,29,30)/t21-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016374 (CHEMBL3263938) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7| Show InChI InChI=1S/C22H35N2O5P/c1-4-18(5-2)29-21-15-19(14-20(23)22(21)24-16(3)25)30(26,27)28-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14,23H2,1-3H3,(H,24,25)(H,26,27)/t20-,21+,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616182 (US20230271968, Compound A22) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cccnc2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616166 (US20230271968, Compound A9) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(F)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616171 (US20230271968, Compound A12) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(Cl)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616172 (US20230271968, Compound A13) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2ccnnc2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616184 (US20230271968, Compound A24) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2ccncc2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50401398 (CHEMBL2206458) Show SMILES CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:6| Show InChI InChI=1S/C15H29N2O5P/c1-5-11(6-2)22-14-9-12(23(19,20)21-7-3)8-13(16)15(14)17-10(4)18/h9,11,13-15H,5-8,16H2,1-4H3,(H,17,18)(H,19,20)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016373 (CHEMBL3263937) Show SMILES CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:10| Show InChI InChI=1S/C19H37N2O5P/c1-5-8-9-10-11-25-27(23,24)16-12-17(20)19(21-14(4)22)18(13-16)26-15(6-2)7-3/h13,15,17-19H,5-12,20H2,1-4H3,(H,21,22)(H,23,24)/t17-,18+,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401398 (CHEMBL2206458) Show SMILES CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:6| Show InChI InChI=1S/C15H29N2O5P/c1-5-11(6-2)22-14-9-12(23(19,20)21-7-3)8-13(16)15(14)17-10(4)18/h9,11,13-15H,5-8,16H2,1-4H3,(H,17,18)(H,19,20)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616173 (US20230271968, Compound A14) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2ccc(=O)[nH]c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.53,-7.59,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616177 (US20230271968, Compound A17) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(c2)C(N)=O)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;-.72,-4.78,;-1.62,-6.02,;-1.35,-3.37,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616167 (US20230271968, Compound A10) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(c2)C(F)F)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;-.72,-4.78,;-1.62,-6.02,;-1.35,-3.37,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016378 (CHEMBL3263942) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7| Show InChI InChI=1S/C23H37N4O5P/c1-4-18(5-2)32-21-15-19(14-20(27-23(24)25)22(21)26-16(3)28)33(29,30)31-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14H2,1-3H3,(H,26,28)(H,29,30)(H4,24,25,27)/t20-,21+,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM50401398 (CHEMBL2206458) Show SMILES CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:6| Show InChI InChI=1S/C15H29N2O5P/c1-5-11(6-2)22-14-9-12(23(19,20)21-7-3)8-13(16)15(14)17-10(4)18/h9,11,13-15H,5-8,16H2,1-4H3,(H,17,18)(H,19,20)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616183 (US20230271968, Compound A23) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(C)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616179 (US20230271968, Compound A19) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(O)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016377 (CHEMBL3263941) Show SMILES CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10| Show InChI InChI=1S/C20H39N4O5P/c1-5-8-9-10-11-28-30(26,27)16-12-17(24-20(21)22)19(23-14(4)25)18(13-16)29-15(6-2)7-3/h13,15,17-19H,5-12H2,1-4H3,(H,23,25)(H,26,27)(H4,21,22,24)/t17-,18+,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50037601 (CHEMBL3357203) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCCCc1cc2ccccc2[nH]1 |r,c:7| Show InChI InChI=1S/C25H36N4O4/c1-4-20(5-2)33-23-15-18(14-21(26)24(23)27-16(3)30)25(31)29-32-12-8-10-19-13-17-9-6-7-11-22(17)28-19/h6-7,9,11,13,15,20-21,23-24,28H,4-5,8,10,12,14,26H2,1-3H3,(H,27,30)(H,29,31)/t21-,23+,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016376 (CHEMBL3263940) Show SMILES CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8| Show InChI InChI=1S/C18H35N4O5P/c1-5-8-9-26-28(24,25)14-10-15(22-18(19)20)17(21-12(4)23)16(11-14)27-13(6-2)7-3/h11,13,15-17H,5-10H2,1-4H3,(H,21,23)(H,24,25)(H4,19,20,22)/t15-,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50037545 (CHEMBL3357204) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOC |r,c:7| Show InChI InChI=1S/C16H29N5O4/c1-5-11(6-2)25-13-8-10(15(23)21-24-4)7-12(20-16(17)18)14(13)19-9(3)22/h8,11-14H,5-7H2,1-4H3,(H,19,22)(H,21,23)(H4,17,18,20)/t12-,13+,14+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50016372 (CHEMBL3263936) Show SMILES CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8| Show InChI InChI=1S/C17H33N2O5P/c1-5-8-9-23-25(21,22)14-10-15(18)17(19-12(4)20)16(11-14)24-13(6-2)7-3/h11,13,15-17H,5-10,18H2,1-4H3,(H,19,20)(H,21,22)/t15-,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...				Eur J Med Chem 81: 106-18 (2014) Article DOI: 10.1016/j.ejmech.2014.04.082 BindingDB Entry DOI: 10.7270/Q2R49SB7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616178 (US20230271968, Compound A18) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(CCO)c2C)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.25,-3.85,;1.72,-3.69,;.81,-4.94,;3.68,-1.14,;2.21,-.67,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50037546 (CHEMBL3357205) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7| Show InChI InChI=1S/C22H33N5O4/c1-4-17(5-2)31-19-12-16(11-18(26-22(23)24)20(19)25-14(3)28)21(29)27-30-13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H,25,28)(H,27,29)(H4,23,24,26)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616170 (US20230271968, Compound A11) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(c2)C#N)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;-.72,-4.78,;-2.25,-4.62,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-119] (Homo sapiens (Human))	BDBM561249 ((3,3- difluoroazetidin- 1-yl)(6-(4-((3- fluoro-4- ...) Show SMILES Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(-c3cn[nH]c3)c(F)c2)n1)C(=O)N1CC(F)(F)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HPH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616164 (US20230271968, Compound A7) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C3CCNCC3)c2C(F)(F)F)n2ncc(-c3cccs3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.68,-1.14,;2.21,-.67,;.75,-.19,;2.69,.8,;1.74,-2.13,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-119] (Homo sapiens (Human))	BDBM561262 ((6-(4-((4-1H- pyrazol-4-yl) phenyl)amino)-5- fluor...) Show SMILES Cn1c(cc2ccc(cc12)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HPH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616174 (US20230271968, Compound A15) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C(=O)N3CCNCC3)c2C)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.25,-3.85,;3.88,-5.26,;1.72,-3.69,;.81,-4.94,;-.72,-4.78,;-1.35,-3.37,;-.44,-2.12,;1.09,-2.28,;3.68,-1.14,;2.21,-.67,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616163 (US20230271968, Compound A6) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C3CCNCC3)c2C(F)(F)F)n2ncc(-c3ccccn3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.68,-1.14,;2.21,-.67,;.75,-.19,;2.69,.8,;1.74,-2.13,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.14,5.87,;-.33,7.34,;.7,8.48,;2.2,8.16,;2.68,6.7,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50401400 (CHEMBL2206932) Show SMILES [#6]-[#6]-[#8]P([#8])(=O)[#6]-1=[#6]-[#6@@H](-[#8]-[#6](-[#6]-[#6])-[#6]-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6]-1)\[#7]=[#6](\[#7])-[#7] |r,t:6| Show InChI InChI=1S/C16H31N4O5P/c1-5-11(6-2)25-14-9-12(26(22,23)24-7-3)8-13(20-16(17)18)15(14)19-10(4)21/h9,11,13-15H,5-8H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50037552 (CHEMBL3357211) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O |r,c:7| Show InChI InChI=1S/C16H29N5O5S/c1-5-11(6-2)26-13-8-10(15(23)21-27(4,24)25)7-12(20-16(17)18)14(13)19-9(3)22/h8,11-14H,5-7H2,1-4H3,(H,19,22)(H,21,23)(H4,17,18,20)/t12-,13+,14+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22.9	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 [1-119] (Homo sapiens (Human))	BDBM561176 ((6-(4-((4-(1H- pyrazol-4- yl)phenyl)amino)-5- fluo...) Show SMILES Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc([nH]c2c1)C(=O)N1CC(F)(F)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HPH
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-119] (Homo sapiens (Human))	BDBM561251 (N-(3-fluoro-4- (1H-pyrazol-4- yl)phenyl)-2- (2-(th...) Show SMILES Fc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)-c2nccs2)ccc1-c1cn[nH]c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HPH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50037587 (CHEMBL3357202) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7| Show InChI InChI=1S/C21H31N3O4/c1-4-17(5-2)28-19-12-16(11-18(22)20(19)23-14(3)25)21(26)24-27-13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13,22H2,1-3H3,(H,23,25)(H,24,26)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616176 (US20230271968, Compound A16-II) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C3CCNC[C@H]3F)c2C)n2ncc(-c3ccn[nH]3)c2n1 |wU:20.22,wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;1.09,-2.28,;3.68,-1.14,;2.21,-.67,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair

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