Compile Data Set for Download or QSAR

Found 397 hits with Last Name = 'koch' and Initial = 'o'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM579476 (US11485700, Compound (+)-CBD-HPE) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1C(=O)OCC(O)CCC |r,t:11| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM579476 (US11485700, Compound (+)-CBD-HPE) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1C(=O)OCC(O)CCC |r,t:11| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM579474 (US11485700, Compound (+)-CBD-GE) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1C(=O)OCCO |r,t:11| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM579473 (US11485700, Compound (+)-CBD) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM579472 (US11485700, Compound (+)-CBDV) Show SMILES CCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1 |r,t:9| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM576352 (US11485700, Compound (+)-CBD-ME) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1C(=O)OC |r,t:11| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM579472 (US11485700, Compound (+)-CBDV) Show SMILES CCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1 |r,t:9| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	294	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM579473 (US11485700, Compound (+)-CBD) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM579474 (US11485700, Compound (+)-CBD-GE) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1C(=O)OCCO |r,t:11| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	359	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM576352 (US11485700, Compound (+)-CBD-ME) Show SMILES CCCCCc1cc(O)c(C2C=C(C)CC[C@@H]2C(C)=C)c(O)c1C(=O)OC |r,t:11| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	982	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0D4R
					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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50242179 (CHEMBL4093459) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccn4ccnc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H28F3N5O/c1-21-3-5-24(18-23(21)6-4-22-9-11-38-12-10-34-28(38)17-22)29(39)35-26-8-7-25(27(19-26)30(31,32)33)20-37-15-13-36(2)14-16-37/h3,5,7-12,17-19H,13-16,20H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50322535 (3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50242168 (CHEMBL4101206) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(N)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H27F3N6O/c1-18-3-5-21(13-20(18)6-4-19-15-32-26(31)33-16-19)25(37)34-23-8-7-22(24(14-23)27(28,29)30)17-36-11-9-35(2)10-12-36/h3,5,7-8,13-16H,9-12,17H2,1-2H3,(H,34,37)(H2,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of gastric H+/K+ ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB 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
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50585247 (CHEMBL5079389) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2c(Nc3cccc4ncccc34)c(=O)c2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced inward current at -60 mV preincubated for 30 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113838 BindingDB Entry DOI: 10.7270/Q2086962
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50585247 (CHEMBL5079389) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2c(Nc3cccc4ncccc34)c(=O)c2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced inward current at -60 mV preincubated for 30 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113838 BindingDB Entry DOI: 10.7270/Q2086962
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50242190 (CHEMBL4103644) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(N)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H28F3N5O/c1-19-3-6-22(15-21(19)7-4-20-5-10-26(32)33-17-20)27(37)34-24-9-8-23(25(16-24)28(29,30)31)18-36-13-11-35(2)12-14-36/h3,5-6,8-10,15-17H,11-14,18H2,1-2H3,(H2,32,33)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50345596 (4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H27F3N4O/c1-20-5-7-23(16-22(20)8-6-21-4-3-11-32-18-21)27(36)33-25-10-9-24(26(17-25)28(29,30)31)19-35-14-12-34(2)13-15-35/h3-5,7,9-11,16-18H,12-15,19H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50242167 (CHEMBL4076193) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(N)c(C)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H30F3N5O/c1-19-4-6-23(15-22(19)7-5-21-14-20(2)27(33)34-17-21)28(38)35-25-9-8-24(26(16-25)29(30,31)32)18-37-12-10-36(3)11-13-37/h4,6,8-9,14-17H,10-13,18H2,1-3H3,(H2,33,34)(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50242161 (CHEMBL4097771) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cccnc3)cc2F)CC1 Show InChI InChI=1S/C27H27FN4O/c1-20-5-7-23(16-22(20)8-6-21-4-3-11-29-18-21)27(33)30-25-10-9-24(26(28)17-25)19-32-14-12-31(2)13-15-32/h3-5,7,9-11,16-18H,12-15,19H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50242166 (CHEMBL4085713) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccn4cnnc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-3-5-23(16-22(20)6-4-21-9-10-38-19-33-35-27(38)15-21)28(39)34-25-8-7-24(26(17-25)29(30,31)32)18-37-13-11-36(2)12-14-37/h3,5,7-10,15-17,19H,11-14,18H2,1-2H3,(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8801-8815 (2017) Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0
					More data for this Ligand-Target Pair

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