Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'guizzo' and Initial = 'l'   

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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598994 (CHEMBL5192262) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(C)cc(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601844 (CHEMBL5181864) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3sc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598999 (CHEMBL5197351) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50469488 (CHEMBL4287425) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4S/c1-4-21(5-2)33-25-16-20(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-23(14-12-19)34-22-9-7-6-8-10-22/h6-14,16,21,24-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599004 (CHEMBL5196029) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(C)cc(cc2C)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598993 (CHEMBL5191374) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599007 (CHEMBL5196288) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2O)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028516 (CHEMBL3342478) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601843 (CHEMBL5172128) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3oc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599003 (CHEMBL5196665) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG 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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50469488 (CHEMBL4287425) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(Sc3ccccc3)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4S/c1-4-21(5-2)33-25-16-20(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-23(14-12-19)34-22-9-7-6-8-10-22/h6-14,16,21,24-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598987 (CHEMBL5207590) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(F)c(cc2C)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598980 (CHEMBL5193627) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(F)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598992 (CHEMBL5200599) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598976 (CHEMBL5198401) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598974 (CHEMBL5200099) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2F)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG 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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG 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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598989 (CHEMBL5201314) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601841 (CHEMBL5207634) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc-3c(Cc4ccccc-34)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG 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	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599008 (CHEMBL5180646) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2F)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601845 (CHEMBL5193354) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c3ccccc3cc3ccccc23)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598996 (CHEMBL5195487) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(C)c(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601842 (CHEMBL5181442) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3n(CC)c4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599002 (CHEMBL5192935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598998 (CHEMBL5174598) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3cccs3)c(Cl)c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598995 (CHEMBL5199263) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(F)cc(cc2F)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599006 (CHEMBL5181779) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cc(C)c(cc2C)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028516 (CHEMBL3342478) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598988 (CHEMBL5171635) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(F)c2F)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598978 (CHEMBL5189847) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(c(Cl)c2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50599005 (CHEMBL5194874) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2c(F)cc(cc2F)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598997 (CHEMBL5194291) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3cccs3)c(c2)C#N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598991 (CHEMBL5169593) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C(F)(F)F)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028521 (CHEMBL3342483) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H33ClN2O4/c1-4-22(5-2)34-25-15-21(27(32)33)14-24(26(25)30-17(3)31)29-16-20-12-11-19(13-23(20)28)18-9-7-6-8-10-18/h6-13,15,22,24-26,29H,4-5,14,16H2,1-3H3,(H,30,31)(H,32,33)/t24-,25+,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50207551 (CHEMBL3977345) Show SMILES CC[C@]1(NC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB 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	148	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598990 (CHEMBL5184949) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2[N+]([O-])=O)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601837 (CHEMBL5182201) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc3ccsc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50207551 (CHEMBL3977345) Show SMILES CC[C@]1(NC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB 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	184	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598979 (CHEMBL5194778) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(-c3ccccc3)c(c2)C#N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598966 (CHEMBL5199555) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50601833 (CHEMBL5196520) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccc3ccccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01366 BindingDB Entry DOI: 10.7270/Q2988C33
					More data for this Ligand-Target Pair

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