Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'memmott' and Initial = 'c'   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50050712 (CHEMBL3318007) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)| Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533446 (CHEMBL4460953) Show SMILES CC(=O)Nc1ccc(Oc2ncccc2-c2nc3ccncc3s2)cc1 Show InChI InChI=1S/C19H14N4O2S/c1-12(24)22-13-4-6-14(7-5-13)25-18-15(3-2-9-21-18)19-23-16-8-10-20-11-17(16)26-19/h2-11H,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533445 (CHEMBL4531456) Show SMILES CC(=O)Nc1ccc(Oc2ccccc2-c2nc3ccncc3s2)cc1 Show InChI InChI=1S/C20H15N3O2S/c1-13(24)22-14-6-8-15(9-7-14)25-18-5-3-2-4-16(18)20-23-17-10-11-21-12-19(17)26-20/h2-12H,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair				3D Structure (crystal)
Large T antigen (JC polyomavirus)	BDBM50533444 (CHEMBL4519588) Show SMILES O(c1ccccc1)c1ncccc1-c1nc2ccncc2s1 Show InChI InChI=1S/C17H11N3OS/c1-2-5-12(6-3-1)21-16-13(7-4-9-19-16)17-20-14-8-10-18-11-15(14)22-17/h1-11H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair				3D Structure (crystal)
Large T antigen (JC polyomavirus)	BDBM50533442 (CHEMBL4438480) Show SMILES COc1ccccc1-c1nc2cc(N)ncc2s1 Show InChI InChI=1S/C13H11N3OS/c1-17-10-5-3-2-4-8(10)13-16-9-6-12(14)15-7-11(9)18-13/h2-7H,1H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533450 (CHEMBL4517025) Show SMILES O(c1ccccc1)c1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C15H10N4OS/c1-2-6-11(7-3-1)20-13-9-5-4-8-12(13)14-18-19-10-16-17-15(19)21-14/h1-10H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair				3D Structure (crystal)
Large T antigen (JC polyomavirus)	BDBM50533460 (CHEMBL4537059) Show SMILES COc1ccccc1-c1nc2ccncc2s1 Show InChI InChI=1S/C13H10N2OS/c1-16-11-5-3-2-4-9(11)13-15-10-6-7-14-8-12(10)17-13/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533428 (CHEMBL4521406) Show SMILES O(c1ccccc1)c1ccncc1-c1nn2cnnc2s1 Show InChI InChI=1S/C14H9N5OS/c1-2-4-10(5-3-1)20-12-6-7-15-8-11(12)13-18-19-9-16-17-14(19)21-13/h1-9H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533437 (CHEMBL4452337) Show SMILES C(CC1CCOCC1)Oc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C16H18N4O2S/c1-2-4-14(22-10-7-12-5-8-21-9-6-12)13(3-1)15-19-20-11-17-18-16(20)23-15/h1-4,11-12H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533459 (CHEMBL4474704) Show SMILES C(Oc1ccccc1-c1nn2cnnc2s1)C1CCOCC1 Show InChI InChI=1S/C15H16N4O2S/c1-2-4-13(21-9-11-5-7-20-8-6-11)12(3-1)14-18-19-10-16-17-15(19)22-14/h1-4,10-11H,5-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533440 (CHEMBL4470227) Show SMILES C1Cc2cccc(c2O1)-c1nc2ccncc2s1 Show InChI InChI=1S/C14H10N2OS/c1-2-9-5-7-17-13(9)10(3-1)14-16-11-4-6-15-8-12(11)18-14/h1-4,6,8H,5,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533455 (CHEMBL4562725) Show SMILES O(c1ccccc1)c1ncccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C14H9N5OS/c1-2-5-10(6-3-1)20-12-11(7-4-8-15-12)13-18-19-9-16-17-14(19)21-13/h1-9H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533427 (CHEMBL4475150) Show SMILES CCOc1ccccc1-c1nc2ccncc2s1 Show InChI InChI=1S/C14H12N2OS/c1-2-17-12-6-4-3-5-10(12)14-16-11-7-8-15-9-13(11)18-14/h3-9H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533454 (CHEMBL4443851) Show SMILES C(CC1CCOCC1)Oc1ccccc1-c1nc2ccncc2s1 Show InChI InChI=1S/C19H20N2O2S/c1-2-4-17(23-12-8-14-6-10-22-11-7-14)15(3-1)19-21-16-5-9-20-13-18(16)24-19/h1-5,9,13-14H,6-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533439 (CHEMBL4450465) Show SMILES O(c1ccccc1)c1ccccc1-c1nc2ccncc2s1 Show InChI InChI=1S/C18H12N2OS/c1-2-6-13(7-3-1)21-16-9-5-4-8-14(16)18-20-15-10-11-19-12-17(15)22-18/h1-12H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533435 (CHEMBL4459234) Show SMILES C1Cc2cccc(c2O1)-c1nn2cnnc2s1 Show InChI InChI=1S/C11H8N4OS/c1-2-7-4-5-16-9(7)8(3-1)10-14-15-6-12-13-11(15)17-10/h1-3,6H,4-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533434 (CHEMBL4442492) Show SMILES C1COc2c(C1)cccc2-c1nn2cnnc2s1 Show InChI InChI=1S/C12H10N4OS/c1-3-8-4-2-6-17-10(8)9(5-1)11-15-16-7-13-14-12(16)18-11/h1,3,5,7H,2,4,6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533451 (CHEMBL4462771) Show SMILES COc1ccc(-c2nn3cnnc3s2)c(OC)c1 Show InChI InChI=1S/C11H10N4O2S/c1-16-7-3-4-8(9(5-7)17-2)10-14-15-6-12-13-11(15)18-10/h3-6H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533430 (CHEMBL4548906) Show SMILES CCOc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C11H10N4OS/c1-2-16-9-6-4-3-5-8(9)10-14-15-7-12-13-11(15)17-10/h3-7H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533429 (CHEMBL4462427) Show SMILES COc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C10H8N4OS/c1-15-8-5-3-2-4-7(8)9-13-14-6-11-12-10(14)16-9/h2-6H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533453 (CHEMBL4539070) Show SMILES N#CCCCOc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C13H11N5OS/c14-7-3-4-8-19-11-6-2-1-5-10(11)12-17-18-9-15-16-13(18)20-12/h1-2,5-6,9H,3-4,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533447 (CHEMBL4542310) Show SMILES COCCOc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C12H12N4O2S/c1-17-6-7-18-10-5-3-2-4-9(10)11-15-16-8-13-14-12(16)19-11/h2-5,8H,6-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533441 (CHEMBL4588212) Show SMILES Oc1ccccc1-c1nc2ccncc2s1 Show InChI InChI=1S/C12H8N2OS/c15-10-4-2-1-3-8(10)12-14-9-5-6-13-7-11(9)16-12/h1-7,15H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533438 (CHEMBL4533592) Show SMILES C(CN1CCOCC1)Oc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C15H17N5O2S/c1-2-4-13(22-10-7-19-5-8-21-9-6-19)12(3-1)14-18-20-11-16-17-15(20)23-14/h1-4,11H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533433 (CHEMBL4552648) Show SMILES COc1cccc(-c2nn3cnnc3s2)c1OC Show InChI InChI=1S/C11H10N4O2S/c1-16-8-5-3-4-7(9(8)17-2)10-14-15-6-12-13-11(15)18-10/h3-6H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533426 (CHEMBL4436602) Show SMILES COc1cccc(OC)c1-c1nn2cnnc2s1 Show InChI InChI=1S/C11H10N4O2S/c1-16-7-4-3-5-8(17-2)9(7)10-14-15-6-12-13-11(15)18-10/h3-6H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533458 (CHEMBL4584998) Show SMILES C1CC1c1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C12H10N4S/c1-2-4-10(9(3-1)8-5-6-8)11-15-16-7-13-14-12(16)17-11/h1-4,7-8H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533457 (CHEMBL4574591) Show SMILES O(c1ccccc1)c1ncncc1-c1nn2cnnc2s1 Show InChI InChI=1S/C13H8N6OS/c1-2-4-9(5-3-1)20-11-10(6-14-7-15-11)12-18-19-8-16-17-13(19)21-12/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533456 (CHEMBL4556570) Show SMILES Nc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C9H7N5S/c10-7-4-2-1-3-6(7)8-13-14-5-11-12-9(14)15-8/h1-5H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533452 (CHEMBL4461656) Show SMILES Oc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C9H6N4OS/c14-7-4-2-1-3-6(7)8-12-13-5-10-11-9(13)15-8/h1-5,14H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533449 (CHEMBL4573145) Show SMILES CCOc1ccccc1-c1nc2cnccc2s1 Show InChI InChI=1S/C14H12N2OS/c1-2-17-12-6-4-3-5-10(12)14-16-11-9-15-8-7-13(11)18-14/h3-9H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533448 (CHEMBL4580158) Show SMILES COc1ccccc1-c1nc2ccnc(N)c2s1 Show InChI InChI=1S/C13H11N3OS/c1-17-10-5-3-2-4-8(10)13-16-9-6-7-15-12(14)11(9)18-13/h2-7H,1H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533431 (CHEMBL4538961) Show SMILES Cc1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C10H8N4S/c1-7-4-2-3-5-8(7)9-13-14-6-11-12-10(14)15-9/h2-6H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533443 (CHEMBL4562789) Show SMILES CNc1cc2nc(sc2cn1)-c1ccccc1OC Show InChI InChI=1S/C14H13N3OS/c1-15-13-7-10-12(8-16-13)19-14(17-10)9-5-3-4-6-11(9)18-2/h3-8H,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533432 (CHEMBL4465365) Show SMILES CN(C)c1ccccc1-c1nn2cnnc2s1 Show InChI InChI=1S/C11H11N5S/c1-15(2)9-6-4-3-5-8(9)10-14-16-7-12-13-11(16)17-10/h3-7H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Large T antigen (JC polyomavirus)	BDBM50533436 (CHEMBL4549260) Show SMILES COc1ccccc1Cc1nn2cnnc2s1 Show InChI InChI=1S/C11H10N4OS/c1-16-9-5-3-2-4-8(9)6-10-14-15-7-12-13-11(15)17-10/h2-5,7H,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486 BindingDB Entry DOI: 10.7270/Q22Z1900
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050697 (CHEMBL3317982) Show SMILES COCC(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-30-10-17(29)26-12-3-2-4-13(6-12)27-20-16(22)9-25-19(28-20)15-8-24-18-14(15)5-11(21)7-23-18/h5,7-9,12-13H,2-4,6,10H2,1H3,(H,23,24)(H,26,29)(H,25,27,28)/t12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050698 (CHEMBL3317983) Show SMILES COCC(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r| Show InChI InChI=1S/C20H22F2N6O2/c1-30-10-17(29)26-12-3-2-4-13(6-12)27-20-16(22)9-25-19(28-20)15-8-24-18-14(15)5-11(21)7-23-18/h5,7-9,12-13H,2-4,6,10H2,1H3,(H,23,24)(H,26,29)(H,25,27,28)/t12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050699 (CHEMBL3317984) Show SMILES CC(O)C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-10(29)20(30)27-13-4-2-3-12(6-13)26-19-16(22)9-25-18(28-19)15-8-24-17-14(15)5-11(21)7-23-17/h5,7-10,12-13,29H,2-4,6H2,1H3,(H,23,24)(H,27,30)(H,25,26,28)/t10?,12-,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050700 (CHEMBL3317985) Show SMILES Fc1cnc(nc1N[C@H]1CCC[C@H](C1)NC(=O)CN1CCOCC1)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C23H27ClFN7O2/c24-14-8-17-18(11-27-21(17)26-10-14)22-28-12-19(25)23(31-22)30-16-3-1-2-15(9-16)29-20(33)13-32-4-6-34-7-5-32/h8,10-12,15-16H,1-7,9,13H2,(H,26,27)(H,29,33)(H,28,30,31)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050701 (CHEMBL3317986) Show SMILES CN(C)C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r| Show InChI InChI=1S/C20H23F2N7O/c1-29(2)20(30)27-13-5-3-4-12(7-13)26-19-16(22)10-25-18(28-19)15-9-24-17-14(15)6-11(21)8-23-17/h6,8-10,12-13H,3-5,7H2,1-2H3,(H,23,24)(H,27,30)(H,25,26,28)/t12-,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050702 (CHEMBL3317999) Show SMILES NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C18H18ClFN6O/c19-9-5-11-12(7-23-16(11)22-6-9)17-24-8-13(20)18(26-17)25-14-4-2-1-3-10(14)15(21)27/h5-8,10,14H,1-4H2,(H2,21,27)(H,22,23)(H,24,25,26)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050703 (CHEMBL3318000) Show SMILES OC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C18H17ClFN5O2/c19-9-5-11-12(7-22-15(11)21-6-9)16-23-8-13(20)17(25-16)24-14-4-2-1-3-10(14)18(26)27/h5-8,10,14H,1-4H2,(H,21,22)(H,26,27)(H,23,24,25)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050705 (CHEMBL3318001) Show SMILES C[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r| Show InChI InChI=1S/C19H19ClFN5O2/c1-19(18(27)28)5-3-2-4-14(19)25-17-13(21)9-24-16(26-17)12-8-23-15-11(12)6-10(20)7-22-15/h6-9,14H,2-5H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050706 (CHEMBL3318002) Show SMILES C[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12)C(O)=O |r| Show InChI InChI=1S/C19H19F2N5O2/c1-19(18(27)28)5-3-2-4-14(19)25-17-13(21)9-24-16(26-17)12-8-23-15-11(12)6-10(20)7-22-15/h6-9,14H,2-5H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050707 (CHEMBL3318003) Show SMILES COCC[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r| Show InChI InChI=1S/C21H23ClFN5O3/c1-31-7-6-21(20(29)30)5-3-2-4-16(21)27-19-15(23)11-26-18(28-19)14-10-25-17-13(14)8-12(22)9-24-17/h8-11,16H,2-7H2,1H3,(H,24,25)(H,29,30)(H,26,27,28)/t16-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050708 (CHEMBL3318004) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H]([C@H]2Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r| Show InChI InChI=1S/C19H17ClFN5O2/c20-10-4-11-12(6-23-16(11)22-5-10)17-24-7-13(21)18(26-17)25-15-9-2-1-8(3-9)14(15)19(27)28/h4-9,14-15H,1-3H2,(H,22,23)(H,27,28)(H,24,25,26)/t8-,9+,14+,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050709 (CHEMBL3318005) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@@H]([C@H]2Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r| Show InChI InChI=1S/C19H17ClFN5O2/c20-10-4-11-12(6-23-16(11)22-5-10)17-24-7-13(21)18(26-17)25-15-9-2-1-8(3-9)14(15)19(27)28/h4-9,14-15H,1-3H2,(H,22,23)(H,27,28)(H,24,25,26)/t8-,9+,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050710 (CHEMBL3318006) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r,wU:3.2,wD:10.12,(29.25,-16.63,;27.75,-17,;26.69,-15.88,;27.31,-18.47,;28.37,-19.59,;27.93,-21.07,;26.43,-21.42,;25.38,-20.31,;26.46,-19.21,;26.86,-20.7,;25.82,-18.84,;24.76,-17.72,;23.26,-18.08,;22.83,-19.55,;21.33,-19.91,;20.27,-18.8,;20.71,-17.32,;22.2,-16.96,;22.64,-15.49,;20.89,-21.39,;21.83,-22.61,;20.96,-23.89,;19.49,-23.45,;18.17,-24.25,;16.82,-23.52,;16.78,-21.98,;15.43,-21.24,;18.09,-21.17,;19.44,-21.91,)| Show InChI InChI=1S/C20H19ClFN5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050713 (CHEMBL3317987) Show SMILES Fc1cnc(nc1N[C@H]1CCC[C@H](C1)NC(=O)N1CCOCC1)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C22H25ClFN7O2/c23-13-8-16-17(11-26-19(16)25-10-13)20-27-12-18(24)21(30-20)28-14-2-1-3-15(9-14)29-22(32)31-4-6-33-7-5-31/h8,10-12,14-15H,1-7,9H2,(H,25,26)(H,29,32)(H,27,28,30)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair

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