Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'taylor' and Initial = 'nr'   

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(...)	BDBM50040516 (3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6](-[#8]-[#6](=[#6]-[#6]-1\[#7+]=[#6](\[#7])-[#7])-[#6](-[#8-])=O)-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] |c:7| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470598 (CHEMBL126050) Show SMILES Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O2/c1-18-2-4-19(5-3-18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-20-15-27-23-7-6-21(26)14-22(20)23/h2-7,14-15,27H,8-13,16-17H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470604 (CHEMBL338825) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)N4)CC3)c2c1 Show InChI InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-28-12-9-24(10-13-28)17-29(23(30)27-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2,(H,27,30)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470590 (CHEMBL341357) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)C4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O/c26-21-6-7-23-22(14-21)20(16-27-23)8-11-28-12-9-25(10-13-28)15-24(30)29(18-25)17-19-4-2-1-3-5-19/h1-7,14,16,27H,8-13,15,17-18H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470583 (CHEMBL125696) Show SMILES Fc1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 Show InChI InChI=1S/C24H25F2N3O2/c25-19-3-1-2-17(12-19)15-29-16-24(31-23(29)30)7-10-28(11-8-24)9-6-18-14-27-22-5-4-20(26)13-21(18)22/h1-5,12-14,27H,6-11,15-16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470596 (CHEMBL125310) Show SMILES CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C25H30FN3O2/c1-19(30)29(17-20-5-3-2-4-6-20)18-25(31)10-13-28(14-11-25)12-9-21-16-27-24-8-7-22(26)15-23(21)24/h2-8,15-16,27,31H,9-14,17-18H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470587 (CHEMBL124648) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(C(=O)c5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H24FN3O3/c25-19-6-7-21-20(14-19)18(15-26-21)8-11-27-12-9-24(10-13-27)16-28(23(30)31-24)22(29)17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Tachykinin receptor 2 from guinea pig trachea				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470603 (CHEMBL124013) Show SMILES COc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O3/c1-31-21-5-2-18(3-6-21)16-29-17-25(32-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-4-20(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470605 (CHEMBL122169) Show SMILES Fc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C24H25F2N3O2/c25-19-3-1-17(2-4-19)15-29-16-24(31-23(29)30)8-11-28(12-9-24)10-7-18-14-27-22-6-5-20(26)13-21(18)22/h1-6,13-14,27H,7-12,15-16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470582 (CHEMBL126043) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O Show InChI InChI=1S/C24H26FN3O4S/c1-17-2-5-20(6-3-17)33(30,31)28-16-24(32-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-4-19(25)14-21(18)22/h2-7,14-15,26H,8-13,16H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470595 (CHEMBL122019) Show SMILES Fc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c(F)c1 Show InChI InChI=1S/C24H24F3N3O2/c25-18-3-4-22-20(11-18)16(13-28-22)5-8-29-9-6-24(7-10-29)15-30(23(31)32-24)14-17-1-2-19(26)12-21(17)27/h1-4,11-13,28H,5-10,14-15H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470599 (CHEMBL330766) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CCN(Cc5ccccc5)C4)CC3)c2c1 Show InChI InChI=1S/C25H30FN3/c26-22-6-7-24-23(16-22)21(17-27-24)8-12-28-13-9-25(10-14-28)11-15-29(19-25)18-20-4-2-1-3-5-20/h1-7,16-17,27H,8-15,18-19H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Tachykinin receptor 2 from human expressed in CHO cells				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470592 (CHEMBL339311) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5cccc6ccccc56)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C28H28FN3O2/c29-23-8-9-26-25(16-23)21(17-30-26)10-13-31-14-11-28(12-15-31)19-32(27(33)34-28)18-22-6-3-5-20-4-1-2-7-24(20)22/h1-9,16-17,30H,10-15,18-19H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470597 (CHEMBL330826) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccc(Cl)cc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H25ClFN3O2/c25-19-3-1-17(2-4-19)15-29-16-24(31-23(29)30)8-11-28(12-9-24)10-7-18-14-27-22-6-5-20(26)13-21(18)22/h1-6,13-14,27H,7-12,15-16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470606 (CHEMBL446099) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CC(=O)N(Cc5ccccc5)N4)CC3)c2c1 Show InChI InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(16-26-22)8-11-28-12-9-24(10-13-28)15-23(30)29(27-24)17-18-4-2-1-3-5-18/h1-7,14,16,26-27H,8-13,15,17H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470581 (CHEMBL341008) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(CCc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O2/c26-21-6-7-23-22(16-21)20(17-27-23)9-12-28-14-10-25(11-15-28)18-29(24(30)31-25)13-8-19-4-2-1-3-5-19/h1-7,16-17,27H,8-15,18H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470584 (CHEMBL125001) Show SMILES Cc1ccccc1CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O Show InChI InChI=1S/C25H28FN3O2/c1-18-4-2-3-5-20(18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-6-21(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470585 (CHEMBL415518) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccn5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O2/c24-18-4-5-21-20(13-18)17(14-26-21)6-10-27-11-7-23(8-12-27)16-28(22(29)30-23)15-19-3-1-2-9-25-19/h1-5,9,13-14,26H,6-8,10-12,15-16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470608 (CHEMBL338030) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccc6ccccc6c5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C28H28FN3O2/c29-24-7-8-26-25(16-24)23(17-30-26)9-12-31-13-10-28(11-14-31)19-32(27(33)34-28)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-8,15-17,30H,9-14,18-19H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470607 (CHEMBL124624) Show SMILES CC(N1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O)c1ccccc1 Show InChI InChI=1S/C25H28FN3O2/c1-18(19-5-3-2-4-6-19)29-17-25(31-24(29)30)10-13-28(14-11-25)12-9-20-16-27-23-8-7-21(26)15-22(20)23/h2-8,15-16,18,27H,9-14,17H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470601 (CHEMBL123731) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(C(c5ccccc5)c5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C30H30FN3O2/c31-25-11-12-27-26(19-25)24(20-32-27)13-16-33-17-14-30(15-18-33)21-34(29(35)36-30)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19-20,28,32H,13-18,21H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50040515 (3-(acetylamino)-4-ammonio-2-[(1R,2R)-1,2,3-trihydr...) Show SMILES CC(=O)NC1C([NH3+])C=C(OC1[C@H](O)[C@H](O)CO)C([O-])=O |c:7| Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470589 (CHEMBL331011) Show SMILES COC(=O)c1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 Show InChI InChI=1S/C26H28FN3O4/c1-33-24(31)19-4-2-3-18(13-19)16-30-17-26(34-25(30)32)8-11-29(12-9-26)10-7-20-15-28-23-6-5-21(27)14-22(20)23/h2-6,13-15,28H,7-12,16-17H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470602 (CHEMBL340747) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccc(cc5)C#N)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C25H25FN4O2/c26-21-5-6-23-22(13-21)20(15-28-23)7-10-29-11-8-25(9-12-29)17-30(24(31)32-25)16-19-3-1-18(14-27)2-4-19/h1-6,13,15,28H,7-12,16-17H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470594 (CHEMBL340405) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccncc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O2/c24-19-1-2-21-20(13-19)18(14-26-21)5-10-27-11-6-23(7-12-27)16-28(22(29)30-23)15-17-3-8-25-9-4-17/h1-4,8-9,13-14,26H,5-7,10-12,15-16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470600 (CHEMBL435619) Show SMILES OC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C23H28FN3O/c24-20-6-7-22-21(14-20)19(16-26-22)8-11-27-12-9-23(28,10-13-27)17-25-15-18-4-2-1-3-5-18/h1-7,14,16,25-26,28H,8-13,15,17H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470586 (CHEMBL435610) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-19-6-7-21-20(14-19)18(15-26-21)8-11-28-12-9-24(10-13-28)22(30)29(23(31)27-24)16-17-4-2-1-3-5-17/h1-7,14-15,26H,8-13,16H2,(H,27,31)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470593 (CHEMBL126158) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5cccnc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O2/c24-19-3-4-21-20(12-19)18(14-26-21)5-9-27-10-6-23(7-11-27)16-28(22(29)30-23)15-17-2-1-8-25-13-17/h1-4,8,12-14,26H,5-7,9-11,15-16H2	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50470588 (CHEMBL340548) Show SMILES CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O Show InChI InChI=1S/C18H22FN3O2/c1-21-12-18(24-17(21)23)5-8-22(9-6-18)7-4-13-11-20-16-3-2-14(19)10-15(13)16/h2-3,10-11,20H,4-9,12H2,1H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity against tachykinin receptor 2 from rat colon.				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50032861 (5-((R)-Acetylamino)-4-hydroxy-6-((1R,2R)-1,2,3-tri...) Show SMILES CC(=O)NC1C(O)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |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?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Tachykinin receptor 1 from rabbit cortex				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Tachykinin receptor 1 from guinea pig trachea				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50470591 (CHEMBL124208) Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortex				J Med Chem 38: 3772-9 (1995) Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4945 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4945 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza B virus (B/Lee/40))	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type B				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4952 ((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(2-phenylet...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C19H25N3O5/c1-3-22(10-9-13-7-5-4-6-8-13)18(24)17-16(21-12(2)23)14(20)11-15(27-17)19(25)26/h4-8,11,14,16-17H,3,9-10,20H2,1-2H3,(H,21,23)(H,25,26)/t14-,16+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4958 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-methylpropyl)...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(C)C |r,c:3| Show InChI InChI=1S/C21H29N3O5/c1-13(2)12-24(10-9-15-7-5-4-6-8-15)20(26)19-18(23-14(3)25)16(22)11-17(29-19)21(27)28/h4-8,11,13,16,18-19H,9-10,12,22H2,1-3H3,(H,23,25)(H,27,28)/t16-,18+,19+/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza B virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290063 ((4S,5R,6R)-5-Acetylamino-6-(5-benzyl-2-propyl-2H-[...) Show SMILES CCCn1nc(Cc2ccccc2)nc1[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C38H43N5O6/c1-6-22-43-35(41-31(42-43)23-26-16-10-7-11-17-26)34-32(39-25(2)44)29(40-37(46)49-38(3,4)5)24-30(47-34)36(45)48-33(27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,24,29,32-34H,6,22-23H2,1-5H3,(H,39,44)(H,40,46)/t29-,32+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50290066 ((4S,5R,6R)-5-Acetylamino-4-amino-6-(5-butyl-4-prop...) Show SMILES CCCCc1nnc([C@@H]2OC(=C[C@H](N)[C@H]2NC(C)=O)C(O)=O)n1CCC |c:10| Show InChI InChI=1S/C17H27N5O4/c1-4-6-7-13-20-21-16(22(13)8-5-2)15-14(19-10(3)23)11(18)9-12(26-15)17(24)25/h9,11,14-15H,4-8,18H2,1-3H3,(H,19,23)(H,24,25)/t11-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against influenza A virus sialidase				Bioorg Med Chem Lett 7: 2239-2242 (1997) Article DOI: 10.1016/S0960-894X(97)00399-5 BindingDB Entry DOI: 10.7270/Q2RX9CKB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type B				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM4945 ((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type B				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair

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