Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50033337   

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)	BDBM50343543 (CHEMBL499125 | N-(Hexahydro-2,5-methano-pentalen-3...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]C12[#6]-[#6]-3-[#6]-[#6]1-[#6]-[#6](-[#6]2)-[#6]-3 |TLB:10:9:13.11.12:6,THB:10:11:8.9:6| Show InChI InChI=1S/C11H19N3/c12-10(13)14-6-11-4-7-1-8(5-11)3-9(11)2-7/h7-9H,1-6H2,(H4,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343541 (C-(Hexahydro-2,5-methano-pentalen-3a-yl)-methylami...) Show SMILES NCC12CC3CC1CC(C2)C3 |TLB:3:2:10.4.5:7,THB:3:4:7:9.2,1:2:10.4.5:7| Show InChI InChI=1S/C10H17N/c11-6-10-4-7-1-8(5-10)3-9(10)2-7/h7-9H,1-6,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343546 (C-(2,5-Dimethyl-hexahydro-2,5-cyclo-pentalen-3a-yl...) Show SMILES CC12CC3CC1(C)CC3(CN)C2 |TLB:9:8:5.4:2,THB:7:5:2:11.8,7:8:5.4:2| Show InChI InChI=1S/C11H19N/c1-9-3-8-4-10(9,2)6-11(8,5-9)7-12/h8H,3-7,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343544 (CHEMBL1774313 | rac-1-(Hexahydro-2,5-methano-penta...) Show SMILES CC(N)C12CC3CC1CC(C2)C3 |TLB:8:7:11.9.10:4,THB:8:9:4:6.7| Show InChI InChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					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	1.60E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					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	1.70E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343542 ((Hexahydro-2,5-methano-pentalen-3a-ylmethyl)-methy...) Show SMILES CNCC12CC3CC1CC(C2)C3 |TLB:4:3:11.5.6:8,THB:4:5:8:10.3,2:3:11.5.6:8| Show InChI InChI=1S/C11H19N/c1-12-7-11-5-8-2-9(6-11)4-10(11)3-8/h8-10,12H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343548 (CHEMBL468166 | Methyl-(2-oxa-tricyclo[3.3.1.1(3,7)...) Show SMILES CNC12CC3CC(CC(C3)O1)C2 |TLB:1:2:5:9.8.7,THB:3:4:7:11.2.10,3:2:5.4.9:7,10:2:5:9.8.7,10:8:5:11.3.2,1:2:5.4.9:7| Show InChI InChI=1S/C10H17NO/c1-11-10-5-7-2-8(6-10)4-9(3-7)12-10/h7-9,11H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343550 (3-Azaoctacyclo[8.7.0.0(1,5).0(5,13).0(6,11).0(7,9)...) Show SMILES C1C2C1C1C3C2C24CNCC12C1C2CC2C4C31 |TLB:4:16:6.10:14.12,7:6:3:11.16,7:6:4:2.1,7:6:16:14.12,9:10:4:2.1,9:10:16:14.12,1:5:3:11.16,0:1:6.10:4,THB:13:14:6.10:16,13:12:6.10:16,3:10:16:14.12,5:6:16:14.12,11:10:4:2.1,15:6:3:11.16,15:16:3:6.5,15:6:4:2.1,16:4:6.10:2.1,0:2:6.10:4,12:11:3:6.5,12:11:3.4:6.15,(12.17,-33.82,;10.88,-33.93,;11.43,-32.76,;9.96,-31.9,;9.66,-30.39,;9.53,-33.24,;8.09,-33.96,;8.08,-35.63,;9.97,-36.43,;8.76,-34.97,;8.77,-32.74,;7.16,-31.93,;5.98,-32.77,;4.58,-32.79,;5.29,-34,;6.74,-33.27,;6.86,-30.42,)| Show InChI InChI=1S/C16H19N/c1-5-6(1)12-9-10-13-7-2-8(7)14(10)16(12)4-17-3-15(13,16)11(5)9/h5-14,17H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343547 ((2-Oxaadamant-1-yl)amine | 2-Oxa-tricyclo[3.3.1.1(...) Show SMILES NC12CC3CC(CC(C3)O1)C2 |TLB:0:1:4:8.7.6,THB:2:3:6:10.1.9,2:1:4.3.8:6,9:1:4:8.7.6,9:7:4:10.2.1,0:1:4.3.8:6| Show InChI InChI=1S/C9H15NO/c10-9-4-6-1-7(5-9)3-8(2-6)11-9/h6-8H,1-5,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.92E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair
Matrix protein 2 [1-96] (Influenza A virus)	BDBM50343549 (3-Azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,1...) Show SMILES C1NCC23C4C=CC5C4C4C(C=CC24)C135 |c:5,12,TLB:4:3:11.12:9,7:14:11.12:9,6:7:4:13.9,0:14:4:13.9,0:14:8:5.6,2:3:8:5.6,THB:8:9:14.3:11.12,12:13:4:14.7,12:13:4.8:14.10,13:3:8:5.6,10:14:4:13.9,10:9:4:14.7,10:14:8:5.6,9:8:14.3:5.6,0:14:11.12:9,2:3:11.12:9,(27.24,-25.38,;29.04,-26.14,;27.89,-24.75,;27.89,-22.62,;29.02,-21.83,;30.43,-22.65,;29.91,-23.76,;28.62,-23.1,;28.74,-20.39,;26.08,-20.42,;25.96,-23.13,;24.58,-23.82,;25.23,-22.66,;26.36,-21.86,;27.24,-23.79,)| Show InChI InChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+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 (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...				J Med Chem 54: 2646-57 (2011) Article DOI: 10.1021/jm101334y BindingDB Entry DOI: 10.7270/Q2H41RR0
					More data for this Ligand-Target Pair