Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50005784   

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
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50494442 (CHEMBL3088292) Show SMILES Cl.NC(=N)N1CC23CC45CC2(C1)CC4(C3)CCCC5 |TLB:15:13:7:10.9,11:10:7:13.14,THB:12:13:7:10.9,12:10:7:13.14,(50.7,-47.54,;53.17,-52.02,;51.8,-51.23,;51.8,-49.65,;50.4,-52.03,;49.04,-52.9,;47.7,-52.6,;47.41,-51.36,;45.66,-51.59,;48.14,-52.14,;48.19,-53.62,;49.64,-53.97,;47.19,-54.69,;45.6,-53.35,;46.88,-53.99,;44.15,-53.86,;42.87,-53.12,;42.95,-51.41,;44.34,-50.75,)| Show InChI InChI=1S/C15H23N3/c16-11(17)18-9-14-5-12-3-1-2-4-13(12,7-14)8-15(14,6-12)10-18/h1-10H2,(H3,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...				J Med Chem 56: 9265-74 (2013) Article DOI: 10.1021/jm401340p BindingDB Entry DOI: 10.7270/Q2HH6P00
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50494443 (CHEMBL3088163) Show SMILES Cl.CC12CC34CN(CC3(C1)CC2(C)C4)C(N)=N |TLB:9:8:13:2.3,12:11:3:8.9,THB:10:8:3:13.11,10:11:3:8.9,7:8:3:13.11,(13.43,-20.11,;7.65,-22.98,;8.69,-24.11,;10.85,-24.66,;10.91,-26.2,;12.42,-26.57,;13.22,-24.55,;11.79,-25.45,;10.4,-25.15,;10.1,-23.84,;9.54,-26.6,;8.15,-25.98,;6.69,-26.45,;9.86,-27.32,;14.68,-23.71,;16.11,-24.53,;14.68,-22.06,)| Show InChI InChI=1S/C13H21N3/c1-10-3-12-5-11(10,2)6-13(12,4-10)8-16(7-12)9(14)15/h3-8H2,1-2H3,(H3,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...				J Med Chem 56: 9265-74 (2013) Article DOI: 10.1021/jm401340p BindingDB Entry DOI: 10.7270/Q2HH6P00
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50494444 (CHEMBL3088168) Show SMILES Cl.CCC12CC34CN(CC3(C1)CC2(CC)C4)C(N)=N |TLB:13:12:4:9.10,10:9:15:3.4,THB:11:9:4:15.12,11:12:4:9.10,8:9:4:15.12,(38.18,-45.8,;33.92,-47.33,;33.78,-48.86,;35.04,-49.75,;37.06,-50.27,;37.11,-51.7,;38.53,-52.05,;39.28,-50.16,;37.94,-51,;36.64,-50.72,;36.36,-49.5,;35.84,-52.07,;34.54,-51.5,;33,-51.46,;32.26,-50.11,;36.14,-52.75,;40.64,-49.37,;41.98,-50.14,;40.64,-47.83,)| Show InChI InChI=1S/C15H25N3/c1-3-12-5-14-7-13(12,4-2)8-15(14,6-12)10-18(9-14)11(16)17/h3-10H2,1-2H3,(H3,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...				J Med Chem 56: 9265-74 (2013) Article DOI: 10.1021/jm401340p BindingDB Entry DOI: 10.7270/Q2HH6P00
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50494441 (CHEMBL3088169) Show SMILES OC(C(O)C(O)=O)C(O)=O.C1NCC23CC45CC12CC4(C3)CCCC5 |TLB:16:17:20:14.15,24:15:18.17:20,THB:16:15:18.17:20,10:17:20:14.15,(18.14,-17.63,;18.16,-19.22,;19.49,-19.99,;19.51,-21.58,;20.83,-19.22,;22.24,-20,;20.88,-17.63,;16.82,-19.99,;15.41,-19.21,;16.77,-21.58,;12.04,-22.62,;13.98,-22.9,;13.05,-21.75,;12.87,-20.55,;11.42,-20.1,;11.67,-18.74,;10.84,-20.53,;12.04,-21.21,;13.39,-20.85,;13.39,-18.74,;13.95,-20.01,;14.01,-17.39,;13.23,-16.04,;11.67,-16.04,;10.88,-17.39,)| Show InChI InChI=1S/C14H21N/c1-2-4-12-7-13-5-11(12,3-1)6-14(13,8-12)10-15-9-13/h15H,1-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...				J Med Chem 56: 9265-74 (2013) Article DOI: 10.1021/jm401340p BindingDB Entry DOI: 10.7270/Q2HH6P00
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7| Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Influenza A virus Udorn/72 M2 ion channel S31N mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...				J Med Chem 56: 9265-74 (2013) Article DOI: 10.1021/jm401340p BindingDB Entry DOI: 10.7270/Q2HH6P00
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343545 (2,5-Dimethyl-hexahydro-2,5-cyclo-pentalen-3a-ylami...) Show SMILES CC12CC3CC1(C)CC3(N)C2 |TLB:9:8:5.4:2,THB:7:5:2:10.8,7:8:5.4:2| Show InChI InChI=1S/C10H17N/c1-8-3-7-4-9(8,2)6-10(7,11)5-8/h7H,3-6,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of Influenza A virus Udorn/72 M2 ion channel S31N mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...				J Med Chem 56: 9265-74 (2013) Article DOI: 10.1021/jm401340p BindingDB Entry DOI: 10.7270/Q2HH6P00
					More data for this Ligand-Target Pair