Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'feng' and Initial = 'e'   

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)	BDBM50365366 (CHEMBL1232591) Show SMILES [H][C@]1(OC(C(O)=O)=C(C\C=C\c2ccc(C)cc2)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CO |r,t:6| Show InChI InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) X-31 recombinant neuraminidase using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic ...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489423 (CHEMBL2315323) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-3-2-4-11(20)5-10/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/97(H3N2)) recombinant neuraminidase using 2'-(4- methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as s...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572352 (CHEMBL4872793) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572354 (CHEMBL5027915) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572342 (CHEMBL4847488) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572324 (CHEMBL4879386) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) X-31 recombinant neuraminidase using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic ...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50489423 (CHEMBL2315323) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-3-2-4-11(20)5-10/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572349 (CHEMBL4851034) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572343 (CHEMBL4875466) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)[C@@H](C)CC)C(N)=O)[C@@H](C)O)[C@@H](C)O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572353 (CHEMBL4851160) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572331 (CHEMBL4846980) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572341 (CHEMBL4874071) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572337 (CHEMBL4869011) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway 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					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572330 (CHEMBL4854255) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway 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					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489411 (CHEMBL2315321) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-5(14(26)27)18-13(25)9-3-7(20-15(16)17)10(19-6(2)22)12(28-9)11(24)8(23)4-21/h3,5,7-8,10-12,21,23-24H,4H2,1-2H3,(H,18,25)(H,19,22)(H,26,27)(H4,16,17,20)/t5-,7-,8+,10+,11+,12+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572344 (CHEMBL4851775) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[C@@H](C)O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572333 (CHEMBL4871134) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Shanxi Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde ...				Bioorg Med Chem Lett 23: 2380-3 (2013) Article DOI: 10.1016/j.bmcl.2013.02.048 BindingDB Entry DOI: 10.7270/Q2ZK5J14
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489410 (CHEMBL2315322) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-6(22)19-11-7(20-15(16)17)4-9(14(27)18-3-2-10(24)25)28-13(11)12(26)8(23)5-21/h4,7-8,11-13,21,23,26H,2-3,5H2,1H3,(H,18,27)(H,19,22)(H,24,25)(H4,16,17,20)/t7-,8+,11+,12+,13+/m0/s1	PDB MMDB 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572334 (CHEMBL4865306) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O)[C@@H](C)CC)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572347 (CHEMBL4852205) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489423 (CHEMBL2315323) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-3-2-4-11(20)5-10/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489411 (CHEMBL2315321) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-5(14(26)27)18-13(25)9-3-7(20-15(16)17)10(19-6(2)22)12(28-9)11(24)8(23)4-21/h3,5,7-8,10-12,21,23-24H,4H2,1-2H3,(H,18,25)(H,19,22)(H,26,27)(H4,16,17,20)/t5-,7-,8+,10+,11+,12+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489418 (CHEMBL2315320) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H29N5O8/c1-6(2)11(16(28)29)22-15(27)10-4-8(21-17(18)19)12(20-7(3)24)14(30-10)13(26)9(25)5-23/h4,6,8-9,11-14,23,25-26H,5H2,1-3H3,(H,20,24)(H,22,27)(H,28,29)(H4,18,19,21)/t8-,9+,11-,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489413 (CHEMBL2315318) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H27N5O10/c1-6(24)20-12-8(22-17(18)19)4-10(32-14(12)13(28)9(25)5-23)15(29)21-7(16(30)31)2-3-11(26)27/h4,7-9,12-14,23,25,28H,2-3,5H2,1H3,(H,20,24)(H,21,29)(H,26,27)(H,30,31)(H4,18,19,22)/t7-,8-,9+,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572348 (CHEMBL4864176) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572338 (CHEMBL4872183) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)C(CCC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572339 (CHEMBL4861668) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccco2)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572327 (CHEMBL4860806) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@@H](N)CC(=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489417 (CHEMBL2315324) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-4-2-3-5-11(10)20/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489417 (CHEMBL2315324) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-4-2-3-5-11(10)20/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489405 (CHEMBL2315596) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H29N5O6/c1-10-3-5-12(6-4-10)8-23-19(30)15-7-13(25-20(21)22)16(24-11(2)27)18(31-15)17(29)14(28)9-26/h3-7,13-14,16-18,26,28-29H,8-9H2,1-2H3,(H,23,30)(H,24,27)(H4,21,22,25)/t13-,14+,16+,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489405 (CHEMBL2315596) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H29N5O6/c1-10-3-5-12(6-4-10)8-23-19(30)15-7-13(25-20(21)22)16(24-11(2)27)18(31-15)17(29)14(28)9-26/h3-7,13-14,16-18,26,28-29H,8-9H2,1-2H3,(H,23,30)(H,24,27)(H4,21,22,25)/t13-,14+,16+,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572326 (CHEMBL4855095) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489410 (CHEMBL2315322) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-6(22)19-11-7(20-15(16)17)4-9(14(27)18-3-2-10(24)25)28-13(11)12(26)8(23)5-21/h4,7-8,11-13,21,23,26H,2-3,5H2,1H3,(H,18,27)(H,19,22)(H,24,25)(H4,16,17,20)/t7-,8+,11+,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489411 (CHEMBL2315321) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-5(14(26)27)18-13(25)9-3-7(20-15(16)17)10(19-6(2)22)12(28-9)11(24)8(23)4-21/h3,5,7-8,10-12,21,23-24H,4H2,1-2H3,(H,18,25)(H,19,22)(H,26,27)(H4,16,17,20)/t5-,7-,8+,10+,11+,12+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572350 (CHEMBL4869651) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489413 (CHEMBL2315318) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H27N5O10/c1-6(24)20-12-8(22-17(18)19)4-10(32-14(12)13(28)9(25)5-23)15(29)21-7(16(30)31)2-3-11(26)27/h4,7-9,12-14,23,25,28H,2-3,5H2,1H3,(H,20,24)(H,21,29)(H,26,27)(H,30,31)(H4,18,19,22)/t7-,8-,9+,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572351 (CHEMBL4849368) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489410 (CHEMBL2315322) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-6(22)19-11-7(20-15(16)17)4-9(14(27)18-3-2-10(24)25)28-13(11)12(26)8(23)5-21/h4,7-8,11-13,21,23,26H,2-3,5H2,1H3,(H,18,27)(H,19,22)(H,24,25)(H4,16,17,20)/t7-,8+,11+,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50485200 (CHEMBL2041478) Show SMILES [H][C@]1(OC(=C[C@H](NC(=O)N[C@@H](CC(N)=O)C(O)=O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C16H24N4O11/c1-5(22)18-11-6(19-16(30)20-7(14(26)27)3-10(17)24)2-9(15(28)29)31-13(11)12(25)8(23)4-21/h2,6-8,11-13,21,23,25H,3-4H2,1H3,(H2,17,24)(H,18,22)(H,26,27)(H,28,29)(H2,19,20,30)/t6-,7-,8+,11+,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/97(H3N2)) recombinant neuraminidase using 2'-(4- methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as s...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489413 (CHEMBL2315318) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H27N5O10/c1-6(24)20-12-8(22-17(18)19)4-10(32-14(12)13(28)9(25)5-23)15(29)21-7(16(30)31)2-3-11(26)27/h4,7-9,12-14,23,25,28H,2-3,5H2,1H3,(H,20,24)(H,21,29)(H,26,27)(H,30,31)(H4,18,19,22)/t7-,8-,9+,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572325 (CHEMBL4860058) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC1=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair
Calcium and integrin-binding protein 1 (Homo sapiens)	BDBM50572336 (CHEMBL4853292) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(C)C)NC1=O)[C@@H](C)CC)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00438 BindingDB Entry DOI: 10.7270/Q27D2ZXC
					More data for this Ligand-Target Pair

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