Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'malgesini' and Initial = 'b'   

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
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424917 (CHEMBL2311578) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424919 (CHEMBL2315422) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H27N5O3S2/c1-18-15-21(10-13-24(18)19-8-11-23(12-9-19)36(27,32)33)34-17-25-29-30-26(35-22-6-2-3-7-22)31(25)20-5-4-14-28-16-20/h4-5,8-16,22H,2-3,6-7,17H2,1H3,(H2,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040551 (CHEMBL3361184) Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(37.31,-57.24,;35.98,-58.01,;35.98,-59.55,;34.65,-57.24,;33.31,-58.01,;31.98,-57.24,;31.98,-55.7,;30.64,-54.93,;30.64,-53.39,;29.31,-52.62,;27.98,-53.39,;26.64,-52.62,;25.31,-53.39,;25.31,-54.93,;23.97,-55.7,;23.97,-57.24,;22.64,-58.01,;21.31,-57.24,;21.31,-55.7,;22.64,-54.93,;26.64,-51.08,;27.98,-50.31,;29.31,-51.08,;27.98,-48.77,;26.64,-48,;26.64,-46.46,;27.98,-45.69,;29.31,-46.46,;29.31,-48,;33.31,-54.93,;34.65,-55.7,)| Show InChI InChI=1S/C25H28N4O2/c30-24(31)21-13-11-19(12-14-21)17-27-25-28-22(20-9-5-2-6-10-20)15-23(29-25)26-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H,30,31)(H2,26,27,28,29)/t19-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040550 (CHEMBL3361185) Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.29,-56.65,;57.96,-57.42,;57.96,-58.96,;56.63,-56.65,;55.29,-57.42,;53.96,-56.65,;53.96,-55.11,;52.62,-54.34,;51.29,-55.11,;49.96,-54.34,;49.96,-52.8,;48.62,-52.03,;48.62,-50.49,;49.96,-49.72,;49.96,-48.18,;51.29,-47.41,;52.62,-48.18,;52.62,-49.72,;51.29,-50.49,;47.29,-52.8,;47.29,-54.34,;48.62,-55.11,;45.95,-55.11,;45.95,-56.65,;44.62,-57.42,;43.29,-56.65,;43.29,-55.11,;44.62,-54.34,;55.29,-54.34,;56.63,-55.11,)| Show InChI InChI=1S/C24H26N4O2/c29-23(30)19-13-11-17(12-14-19)16-25-24-27-21(18-7-3-1-4-8-18)15-22(28-24)26-20-9-5-2-6-10-20/h1-10,15,17,19H,11-14,16H2,(H,29,30)(H2,25,26,27,28)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424939 (CHEMBL2315430) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424938 (CHEMBL2315431) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O2S/c1-28-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)34-18-25-30-31-27(35-24-6-2-3-7-24)32(25)22-5-4-16-29-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424942 (CHEMBL2315427) Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O3S/c1-34-31-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)35-18-25-29-30-27(36-24-6-2-3-7-24)32(25)22-5-4-16-28-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040513 (CHEMBL3361210) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2F)CC1 |r,wU:3.2,wD:6.6,(46.52,-53.26,;47.86,-54.03,;47.86,-55.57,;49.2,-53.26,;49.2,-51.72,;50.53,-50.95,;51.86,-51.72,;53.2,-50.95,;54.53,-51.72,;55.86,-50.95,;55.86,-49.41,;57.2,-48.64,;57.2,-47.1,;55.86,-46.33,;55.86,-44.79,;54.53,-44.02,;54.53,-42.48,;55.86,-41.71,;57.2,-42.48,;57.2,-44.02,;58.53,-49.41,;58.53,-50.95,;57.2,-51.72,;59.86,-51.72,;59.86,-53.26,;61.2,-54.03,;62.53,-53.26,;62.53,-51.72,;61.2,-50.95,;61.2,-49.41,;51.86,-53.26,;50.53,-54.03,)| Show InChI InChI=1S/C25H28FN5O/c26-21-9-5-4-8-20(21)22-14-23(28-15-17-6-2-1-3-7-17)31-25(30-22)29-16-18-10-12-19(13-11-18)24(27)32/h1-9,14,18-19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424941 (CHEMBL2315428) Show SMILES OCC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O3S/c32-17-25(33)21-9-7-19(8-10-21)20-11-13-23(14-12-20)34-18-26-29-30-27(35-24-5-1-2-6-24)31(26)22-4-3-15-28-16-22/h3-4,7-16,24,32H,1-2,5-6,17-18H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424916 (CHEMBL2315424) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H28N4O2S/c1-19-16-24(13-14-26(19)22-11-9-21(10-12-22)20(2)33)34-18-27-30-31-28(35-25-7-3-4-8-25)32(27)23-6-5-15-29-17-23/h5-6,9-17,25H,3-4,7-8,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424918 (CHEMBL2315423) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O2S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)29-2)35-18-26-31-32-28(36-24-7-3-4-8-24)33(26)22-6-5-15-30-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424920 (CHEMBL2315421) Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O3S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)32-35-2)36-18-26-30-31-28(37-24-7-3-4-8-24)33(26)22-6-5-15-29-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040506 (CHEMBL3361216) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:28.33,wD:25.26,(48.05,-32.43,;49.39,-31.66,;49.39,-30.12,;50.72,-32.43,;52.05,-31.66,;53.38,-32.43,;54.72,-31.66,;54.72,-30.12,;53.38,-29.35,;52.05,-30.12,;56.05,-29.35,;56.05,-27.81,;57.39,-27.04,;57.39,-25.5,;58.72,-24.73,;58.72,-23.19,;57.39,-22.42,;57.39,-20.88,;58.72,-20.11,;60.05,-20.88,;60.05,-22.42,;58.72,-27.81,;58.72,-29.35,;60.05,-30.12,;61.38,-29.35,;62.72,-30.12,;62.72,-31.66,;64.06,-32.43,;65.38,-31.66,;65.38,-30.12,;64.06,-29.35,;66.72,-32.43,;68.06,-31.66,;66.72,-33.97,;57.39,-30.12,)| Show InChI InChI=1S/C27H32N6O2/c1-18(34)31-23-13-11-21(12-14-23)24-15-25(29-16-19-5-3-2-4-6-19)33-27(32-24)30-17-20-7-9-22(10-8-20)26(28)35/h2-6,11-15,20,22H,7-10,16-17H2,1H3,(H2,28,35)(H,31,34)(H2,29,30,32,33)/t20-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040557 (CHEMBL3361178) Show SMILES Nc1ccc(cc1[N+]([O-])=O)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.21,-28.81,;24.55,-28.04,;24.55,-26.5,;25.88,-25.73,;27.22,-26.5,;27.22,-28.04,;25.88,-28.81,;25.88,-30.35,;27.22,-31.12,;24.55,-31.12,;28.55,-25.73,;28.55,-24.19,;29.89,-23.42,;31.21,-24.19,;31.21,-25.73,;32.55,-26.5,;33.89,-25.73,;35.22,-26.5,;35.22,-28.04,;36.55,-28.81,;37.89,-28.04,;37.89,-26.5,;36.55,-25.73,;39.22,-28.81,;40.55,-28.04,;39.22,-30.35,;29.89,-26.5,;29.89,-21.88,;28.55,-21.11,;28.55,-19.57,;29.89,-18.8,;31.21,-19.57,;31.21,-21.11,)| Show InChI InChI=1S/C24H25N5O4/c25-19-11-10-18(12-22(19)29(32)33)21-13-20(16-4-2-1-3-5-16)27-24(28-21)26-14-15-6-8-17(9-7-15)23(30)31/h1-5,10-13,15,17H,6-9,14,25H2,(H,30,31)(H,26,27,28)/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040499 (CHEMBL3361223) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cc3ccccc3o2)CC1 |r,wU:3.2,wD:6.6,(30.81,-47.63,;31.58,-48.97,;33.12,-48.97,;30.81,-50.31,;31.58,-51.63,;30.81,-52.97,;29.27,-52.97,;28.5,-54.3,;29.27,-55.64,;28.5,-56.97,;26.96,-56.97,;26.19,-58.31,;24.65,-58.31,;23.88,-56.97,;22.34,-56.97,;21.57,-58.31,;20.03,-58.31,;19.26,-56.97,;20.03,-55.64,;21.57,-55.64,;26.96,-59.64,;28.5,-59.64,;29.27,-58.31,;29.27,-60.97,;28.64,-62.38,;29.79,-63.41,;29.79,-64.95,;31.12,-65.72,;32.46,-64.95,;32.46,-63.41,;31.12,-62.64,;30.8,-61.13,;28.5,-51.63,;29.27,-50.31,)| Show InChI InChI=1S/C27H29N5O2/c28-26(33)20-12-10-19(11-13-20)17-30-27-31-22(24-14-21-8-4-5-9-23(21)34-24)15-25(32-27)29-16-18-6-2-1-3-7-18/h1-9,14-15,19-20H,10-13,16-17H2,(H2,28,33)(H2,29,30,31,32)/t19-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424937 (CHEMBL2315432) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H26N4O3S2/c1-35(31,32)24-14-10-20(11-15-24)19-8-12-22(13-9-19)33-18-25-28-29-26(34-23-6-2-3-7-23)30(25)21-5-4-16-27-17-21/h4-5,8-17,23H,2-3,6-7,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424936 (CHEMBL2315433) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O2S/c1-19(32)20-8-10-21(11-9-20)22-12-14-24(15-13-22)33-18-26-29-30-27(34-25-6-2-3-7-25)31(26)23-5-4-16-28-17-23/h4-5,8-17,25H,2-3,6-7,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424915 (CHEMBL2315425) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C=O)cc1 Show InChI InChI=1S/C27H26N4O2S/c1-19-15-23(12-13-25(19)21-10-8-20(17-32)9-11-21)33-18-26-29-30-27(34-24-6-2-3-7-24)31(26)22-5-4-14-28-16-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040498 (CHEMBL3361224) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ncc3c2)CC1 |r,wU:3.2,wD:6.6,(43.88,-48.16,;45.2,-48.93,;46.54,-48.16,;45.2,-50.47,;46.54,-51.24,;46.54,-52.78,;45.2,-53.55,;45.2,-55.09,;43.88,-55.86,;43.88,-57.4,;45.2,-58.17,;45.2,-59.71,;46.54,-60.48,;47.88,-59.71,;49.21,-60.48,;50.54,-59.71,;51.88,-60.48,;51.88,-62.02,;50.54,-62.79,;49.21,-62.02,;43.88,-60.48,;42.54,-59.71,;42.54,-58.17,;41.21,-60.48,;41.21,-62.02,;39.87,-62.79,;38.54,-62.02,;37.07,-62.5,;36.17,-61.25,;37.07,-60,;38.54,-60.48,;39.87,-59.71,;43.88,-52.78,;43.88,-51.24,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424884 (CHEMBL2315450) Show SMILES Fc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl Show InChI InChI=1S/C19H18ClFN4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424940 (CHEMBL2315429) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C25H25N5O3S2/c26-35(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)33-17-24-28-29-25(34-22-5-1-2-6-22)30(24)20-4-3-15-27-16-20/h3-4,7-16,22H,1-2,5-6,17H2,(H2,26,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424921 (CHEMBL2315420) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)C#N Show InChI InChI=1S/C27H25N5OS/c1-19-15-23(12-13-25(19)21-10-8-20(16-28)9-11-21)33-18-26-30-31-27(34-24-6-2-3-7-24)32(26)22-5-4-14-29-17-22/h4-5,8-15,17,24H,2-3,6-7,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040497 (CHEMBL3361225) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2csc3ccccc23)CC1 |r,wU:3.2,wD:6.6,(13.19,-.21,;13.89,-1.59,;15.43,-1.66,;13.12,-2.92,;13.89,-4.25,;13.12,-5.59,;11.58,-5.59,;10.81,-6.92,;11.58,-8.26,;10.81,-9.59,;9.27,-9.59,;8.5,-10.92,;6.96,-10.92,;6.19,-9.59,;4.64,-9.51,;3.81,-10.8,;2.27,-10.72,;1.57,-9.34,;2.41,-8.05,;3.95,-8.14,;9.27,-12.26,;10.81,-12.26,;11.58,-10.92,;11.58,-13.59,;10.95,-14.99,;12.09,-16.03,;13.43,-15.26,;14.89,-15.74,;16.04,-14.7,;15.71,-13.2,;14.25,-12.72,;13.11,-13.75,;10.81,-4.25,;11.58,-2.92,)| Show InChI InChI=1S/C27H29N5OS/c28-26(33)20-12-10-19(11-13-20)16-30-27-31-23(22-17-34-24-9-5-4-8-21(22)24)14-25(32-27)29-15-18-6-2-1-3-7-18/h1-9,14,17,19-20H,10-13,15-16H2,(H2,28,33)(H2,29,30,31,32)/t19-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040496 (CHEMBL3361226) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ccc3c2)CC1 |r,wU:3.2,wD:6.6,(30.16,-3.1,;31.49,-3.87,;32.82,-3.1,;31.49,-5.41,;32.82,-6.18,;32.82,-7.72,;31.49,-8.49,;31.49,-10.03,;30.16,-10.8,;30.16,-12.34,;31.49,-13.11,;31.49,-14.65,;32.82,-15.42,;34.16,-14.65,;35.49,-15.42,;36.82,-14.65,;38.16,-15.42,;38.16,-16.96,;36.82,-17.73,;35.49,-16.96,;30.16,-15.42,;28.82,-14.65,;28.82,-13.11,;27.49,-15.42,;27.49,-16.96,;26.16,-17.73,;24.82,-16.96,;23.35,-17.43,;22.45,-16.19,;23.35,-14.94,;24.82,-15.42,;26.16,-14.65,;30.16,-7.72,;30.16,-6.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040512 (CHEMBL3361211) Show SMILES CC(=O)c1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(5.06,-16.93,;6.39,-16.16,;7.73,-16.93,;6.39,-14.62,;5.06,-13.85,;5.06,-12.31,;6.39,-11.54,;7.73,-12.31,;7.73,-13.85,;9.06,-11.54,;9.06,-10,;10.39,-9.23,;10.39,-7.69,;11.72,-6.92,;11.72,-5.38,;10.39,-4.61,;10.39,-3.07,;11.72,-2.3,;13.06,-3.07,;13.06,-4.61,;11.72,-10,;11.72,-11.54,;13.06,-12.31,;14.39,-11.54,;15.73,-12.31,;15.73,-13.85,;17.06,-14.62,;18.4,-13.85,;18.4,-12.31,;17.06,-11.54,;19.73,-14.62,;21.06,-13.85,;19.73,-16.16,;10.39,-12.31,)| Show InChI InChI=1S/C27H31N5O2/c1-18(33)22-8-5-9-23(14-22)24-15-25(29-16-19-6-3-2-4-7-19)32-27(31-24)30-17-20-10-12-21(13-11-20)26(28)34/h2-9,14-15,20-21H,10-13,16-17H2,1H3,(H2,28,34)(H2,29,30,31,32)/t20-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424883 (CHEMBL2315451) Show SMILES N#Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H23N5OS/c27-16-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-29-30-26(33-24-5-1-2-6-24)31(25)22-4-3-15-28-17-22/h3-4,7-15,17,24H,1-2,5-6,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040505 (CHEMBL3361217) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(CO)cc2)CC1 |r,wU:3.2,wD:6.6,(19.85,-50.08,;18.51,-50.85,;18.51,-52.39,;17.19,-50.08,;15.85,-50.85,;14.51,-50.08,;14.51,-48.54,;13.18,-47.77,;13.18,-46.23,;11.85,-45.46,;10.51,-46.23,;9.18,-45.46,;7.85,-46.23,;7.85,-47.77,;6.51,-48.54,;6.51,-50.08,;5.18,-50.85,;3.85,-50.08,;3.85,-48.54,;5.18,-47.77,;9.18,-43.92,;10.51,-43.15,;11.85,-43.92,;10.51,-41.61,;9.18,-40.84,;9.18,-39.3,;10.51,-38.53,;10.51,-36.99,;11.85,-36.22,;11.85,-39.3,;11.85,-40.84,;15.85,-47.77,;17.19,-48.54,)| Show InChI InChI=1S/C26H31N5O2/c27-25(33)22-12-6-19(7-13-22)16-29-26-30-23(21-10-8-20(17-32)9-11-21)14-24(31-26)28-15-18-4-2-1-3-5-18/h1-5,8-11,14,19,22,32H,6-7,12-13,15-17H2,(H2,27,33)(H2,28,29,30,31)/t19-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424882 (CHEMBL2315452) Show SMILES Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl Show InChI InChI=1S/C19H18Cl2N4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424881 (CHEMBL2315453) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Br Show InChI InChI=1S/C20H21BrN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040504 (CHEMBL3361218) Show SMILES CC(=O)c1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(22.43,-51.31,;23.76,-52.08,;23.76,-53.62,;25.1,-51.31,;26.44,-52.08,;27.76,-51.31,;27.76,-49.77,;26.44,-49,;25.1,-49.77,;29.1,-49,;29.1,-47.46,;30.43,-46.69,;30.43,-45.15,;31.77,-44.38,;31.77,-42.84,;30.43,-42.07,;30.43,-40.53,;31.77,-39.76,;33.1,-40.53,;33.1,-42.07,;31.77,-47.46,;31.77,-49,;33.1,-49.77,;34.44,-49,;35.77,-49.77,;35.77,-51.31,;37.1,-52.08,;38.43,-51.31,;38.43,-49.77,;37.1,-49,;39.77,-52.08,;41.1,-51.31,;39.77,-53.62,;30.43,-49.77,)| Show InChI InChI=1S/C27H31N5O2/c1-18(33)21-11-13-22(14-12-21)24-15-25(29-16-19-5-3-2-4-6-19)32-27(31-24)30-17-20-7-9-23(10-8-20)26(28)34/h2-6,11-15,20,23H,7-10,16-17H2,1H3,(H2,28,34)(H2,29,30,31,32)/t20-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040503 (CHEMBL3361219) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(Cl)cc2)CC1 |r,wU:3.2,wD:6.6,(64.66,-54.69,;63.33,-55.46,;63.33,-57,;61.99,-54.69,;60.66,-55.46,;59.32,-54.69,;59.32,-53.15,;58,-52.38,;58,-50.84,;56.66,-50.07,;55.32,-50.84,;53.99,-50.07,;52.66,-50.84,;52.66,-52.38,;51.32,-53.15,;51.32,-54.69,;49.99,-55.46,;48.66,-54.69,;48.66,-53.15,;49.99,-52.38,;53.99,-48.53,;55.32,-47.76,;56.66,-48.53,;55.32,-46.22,;53.99,-45.45,;53.99,-43.91,;55.32,-43.14,;55.32,-41.6,;56.66,-43.91,;56.66,-45.45,;60.66,-52.38,;61.99,-53.15,)| Show InChI InChI=1S/C25H28ClN5O/c26-21-12-10-19(11-13-21)22-14-23(28-15-17-4-2-1-3-5-17)31-25(30-22)29-16-18-6-8-20(9-7-18)24(27)32/h1-5,10-14,18,20H,6-9,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040511 (CHEMBL3361212) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(O)c2)CC1 |r,wU:3.2,wD:6.6,(37.46,-13.19,;36.12,-13.96,;36.12,-15.5,;34.78,-13.19,;33.45,-13.96,;32.12,-13.19,;32.12,-11.65,;30.79,-10.88,;30.79,-9.34,;29.45,-8.57,;28.12,-9.34,;26.78,-8.57,;25.45,-9.34,;25.45,-10.88,;24.12,-11.65,;24.12,-13.19,;22.79,-13.96,;21.45,-13.19,;21.45,-11.65,;22.79,-10.88,;26.78,-7.03,;28.12,-6.26,;29.45,-7.03,;28.12,-4.72,;29.45,-3.95,;29.45,-2.41,;28.12,-1.64,;26.78,-2.41,;25.45,-1.64,;26.78,-3.95,;33.45,-10.88,;34.78,-11.65,)| Show InChI InChI=1S/C25H29N5O2/c26-24(32)19-11-9-18(10-12-19)16-28-25-29-22(20-7-4-8-21(31)13-20)14-23(30-25)27-15-17-5-2-1-3-6-17/h1-8,13-14,18-19,31H,9-12,15-16H2,(H2,26,32)(H2,27,28,29,30)/t18-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040495 (CHEMBL3361227) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccnc2)CC1 |r,wU:3.2,wD:6.6,(61.64,-15.67,;60.3,-16.44,;60.3,-17.98,;58.96,-15.67,;57.64,-16.44,;56.3,-15.67,;56.3,-14.13,;54.97,-13.36,;54.97,-11.82,;53.63,-11.05,;52.3,-11.82,;50.96,-11.05,;49.63,-11.82,;49.63,-13.36,;48.3,-14.13,;48.3,-15.67,;46.97,-16.44,;45.63,-15.67,;45.63,-14.13,;46.97,-13.36,;50.96,-9.51,;52.3,-8.74,;53.63,-9.51,;52.3,-7.2,;50.96,-6.43,;50.96,-4.89,;52.3,-4.12,;53.63,-4.89,;53.63,-6.43,;57.64,-13.36,;58.96,-14.13,)| Show InChI InChI=1S/C24H28N6O/c25-23(31)19-10-8-18(9-11-19)15-28-24-29-21(20-7-4-12-26-16-20)13-22(30-24)27-14-17-5-2-1-3-6-17/h1-7,12-13,16,18-19H,8-11,14-15H2,(H2,25,31)(H2,27,28,29,30)/t18-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040558 (CHEMBL3361177) Show SMILES Nc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(2.83,-25.16,;4.17,-24.39,;5.51,-25.16,;6.84,-24.39,;6.84,-22.85,;5.51,-22.08,;4.17,-22.85,;8.17,-22.08,;8.17,-20.54,;9.51,-19.77,;10.84,-20.54,;10.84,-22.08,;12.17,-22.85,;13.51,-22.08,;14.84,-22.85,;14.84,-24.39,;16.17,-25.16,;17.51,-24.39,;17.51,-22.85,;16.17,-22.08,;18.84,-25.16,;20.17,-24.39,;18.84,-26.7,;9.51,-22.85,;9.51,-18.23,;8.17,-17.46,;8.17,-15.92,;9.51,-15.15,;10.84,-15.92,;10.84,-17.46,)| Show InChI InChI=1S/C24H26N4O2/c25-20-12-10-18(11-13-20)22-14-21(17-4-2-1-3-5-17)27-24(28-22)26-15-16-6-8-19(9-7-16)23(29)30/h1-5,10-14,16,19H,6-9,15,25H2,(H,29,30)(H,26,27,28)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424935 (CHEMBL2315434) Show SMILES O=Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H24N4O2S/c31-17-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-28-29-26(33-24-5-1-2-6-24)30(25)22-4-3-15-27-16-22/h3-4,7-17,24H,1-2,5-6,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040569 (CHEMBL3360670) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.71,-56.26,;25.05,-55.49,;26.59,-55.49,;25.82,-56.82,;25.05,-53.95,;23.71,-53.18,;23.71,-51.64,;25.05,-50.87,;26.38,-51.64,;26.38,-53.18,;27.71,-50.87,;27.71,-49.33,;29.04,-48.57,;30.38,-49.33,;30.38,-50.87,;31.71,-51.64,;33.04,-50.87,;34.37,-51.64,;34.37,-53.18,;35.7,-53.95,;37.03,-53.18,;37.03,-51.64,;35.7,-50.87,;38.37,-53.95,;39.7,-53.18,;38.37,-55.49,;29.04,-51.64,;29.04,-47.03,;27.71,-46.26,;27.71,-44.72,;29.04,-43.95,;30.38,-44.72,;30.38,-46.26,)| Show InChI InChI=1S/C25H27N3O4S/c1-33(31,32)21-9-5-8-20(14-21)23-15-22(18-6-3-2-4-7-18)27-25(28-23)26-16-17-10-12-19(13-11-17)24(29)30/h2-9,14-15,17,19H,10-13,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040547 (CHEMBL3361188) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(52.53,-14.05,;51.2,-14.82,;51.2,-16.36,;49.87,-14.05,;48.53,-14.82,;47.2,-14.05,;47.2,-12.51,;45.87,-11.74,;45.87,-10.2,;44.53,-9.43,;43.19,-10.2,;41.87,-9.43,;40.53,-10.2,;40.53,-11.74,;39.19,-12.51,;39.19,-14.05,;37.86,-14.82,;36.53,-14.05,;36.53,-12.51,;37.86,-11.74,;41.87,-7.89,;43.19,-7.12,;44.53,-7.89,;43.19,-5.58,;41.87,-4.81,;41.87,-3.27,;43.19,-2.5,;44.53,-3.27,;44.53,-4.81,;48.53,-11.74,;49.87,-12.51,)| Show InChI InChI=1S/C25H29N5O/c26-24(31)21-13-11-19(12-14-21)17-28-25-29-22(20-9-5-2-6-10-20)15-23(30-25)27-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H2,26,31)(H2,27,28,29,30)/t19-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040545 (CHEMBL3361190) Show SMILES CS(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:7.6,wD:10.10,(18.74,-32.4,;18.74,-30.86,;19.51,-29.53,;20.28,-30.86,;17.4,-30.09,;16.07,-30.86,;16.07,-32.4,;14.74,-30.09,;13.4,-30.86,;12.07,-30.09,;12.07,-28.55,;10.74,-27.78,;10.74,-26.24,;9.4,-25.47,;8.07,-26.24,;6.74,-25.47,;5.4,-26.24,;5.4,-27.78,;4.06,-28.55,;4.06,-30.09,;2.74,-30.86,;1.4,-30.09,;1.4,-28.55,;2.74,-27.78,;6.74,-23.93,;8.07,-23.16,;9.4,-23.93,;8.07,-21.62,;6.74,-20.85,;6.74,-19.31,;8.07,-18.54,;9.4,-19.31,;9.4,-20.85,;13.4,-27.78,;14.74,-28.55,)| Show InChI InChI=1S/C26H31N5O3S/c1-35(33,34)31-25(32)22-14-12-20(13-15-22)18-28-26-29-23(21-10-6-3-7-11-21)16-24(30-26)27-17-19-8-4-2-5-9-19/h2-11,16,20,22H,12-15,17-18H2,1H3,(H,31,32)(H2,27,28,29,30)/t20-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424880 (CHEMBL2315454) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc(C)c1Cl Show InChI InChI=1S/C21H23ClN4OS/c1-14-10-17(11-15(2)20(14)22)27-13-19-24-25-21(28-18-7-3-4-8-18)26(19)16-6-5-9-23-12-16/h5-6,9-12,18H,3-4,7-8,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040510 (CHEMBL3361213) Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(CO)c2)CC1 |r,wU:3.2,wD:6.6,(58.63,-14.47,;57.3,-15.24,;57.3,-16.78,;55.96,-14.47,;54.63,-15.24,;53.3,-14.47,;53.3,-12.93,;51.97,-12.16,;51.97,-10.62,;50.63,-9.85,;49.3,-10.62,;47.96,-9.85,;46.63,-10.62,;46.63,-12.16,;45.29,-12.93,;45.29,-14.47,;43.97,-15.24,;42.63,-14.47,;42.63,-12.93,;43.97,-12.16,;47.96,-8.31,;49.3,-7.54,;50.63,-8.31,;49.3,-6,;50.63,-5.23,;50.63,-3.69,;49.3,-2.92,;47.96,-3.69,;46.63,-2.92,;46.63,-1.38,;47.96,-5.23,;54.63,-12.16,;55.96,-12.93,)| Show InChI InChI=1S/C26H31N5O2/c27-25(33)21-11-9-19(10-12-21)16-29-26-30-23(22-8-4-7-20(13-22)17-32)14-24(31-26)28-15-18-5-2-1-3-6-18/h1-8,13-14,19,21,32H,9-12,15-17H2,(H2,27,33)(H2,28,29,30,31)/t19-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424890 (CHEMBL2315444) Show SMILES Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C19H19ClN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040697 (CHEMBL3360663) Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2F)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(18.99,-23.22,;17.66,-23.99,;17.66,-25.53,;16.33,-23.22,;14.99,-23.99,;13.66,-23.22,;13.66,-21.68,;12.33,-20.91,;11,-21.68,;9.67,-20.91,;9.67,-19.38,;8.34,-18.61,;7,-19.38,;7,-20.91,;8.34,-21.68,;5.67,-21.68,;4.34,-20.91,;3.01,-21.68,;3.01,-23.22,;4.34,-23.99,;5.67,-23.22,;7,-23.99,;8.34,-17.07,;7,-16.3,;7,-14.76,;8.34,-13.99,;9.67,-14.76,;9.67,-16.3,;14.99,-20.91,;16.33,-21.68,)| Show InChI InChI=1S/C24H24FN3O2/c25-20-9-5-4-8-19(20)22-14-21(17-6-2-1-3-7-17)27-24(28-22)26-15-16-10-12-18(13-11-16)23(29)30/h1-9,14,16,18H,10-13,15H2,(H,29,30)(H,26,27,28)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040509 (CHEMBL3352905) Show SMILES COc1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:26.31,wD:23.24,(60.99,-.76,;60.99,-2.3,;62.33,-3.07,;63.66,-2.3,;64.99,-3.07,;64.99,-4.61,;63.66,-5.38,;62.33,-4.61,;63.66,-6.92,;62.33,-7.69,;62.33,-9.23,;60.99,-10,;60.99,-11.54,;59.66,-12.31,;59.66,-13.85,;58.33,-14.62,;56.99,-13.85,;56.99,-12.31,;58.33,-11.54,;63.66,-10,;64.99,-9.23,;66.33,-10,;66.33,-11.54,;67.66,-12.31,;67.66,-13.85,;68.99,-14.62,;70.33,-13.85,;70.33,-12.31,;68.99,-11.54,;71.66,-14.62,;73,-13.85,;71.66,-16.16,;64.99,-7.69,)| Show InChI InChI=1S/C26H31N5O2/c1-33-22-9-5-8-21(14-22)23-15-24(28-16-18-6-3-2-4-7-18)31-26(30-23)29-17-19-10-12-20(13-11-19)25(27)32/h2-9,14-15,19-20H,10-13,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t19-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040556 (CHEMBL3361179) Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc3[nH]ccc3c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.18,-28.09,;57.84,-28.86,;57.84,-30.4,;56.5,-28.09,;55.18,-28.86,;53.84,-28.09,;53.84,-26.55,;52.5,-25.78,;51.17,-26.55,;49.84,-25.78,;49.84,-24.24,;48.5,-23.47,;47.17,-24.24,;47.17,-25.78,;48.5,-26.55,;45.84,-26.55,;45.84,-28.09,;44.5,-28.86,;43.17,-28.09,;41.71,-28.57,;40.8,-27.32,;41.71,-26.08,;43.17,-26.55,;44.5,-25.78,;48.5,-21.93,;47.17,-21.16,;47.17,-19.62,;48.5,-18.85,;49.84,-19.62,;49.84,-21.16,;55.18,-25.78,;56.5,-26.55,)| Show InChI InChI=1S/C26H26N4O2/c31-25(32)19-8-6-17(7-9-19)16-28-26-29-23(18-4-2-1-3-5-18)15-24(30-26)20-10-11-22-21(14-20)12-13-27-22/h1-5,10-15,17,19,27H,6-9,16H2,(H,31,32)(H,28,29,30)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424879 (CHEMBL2315455) Show SMILES Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl Show InChI InChI=1S/C20H21ClN4OS/c1-14-8-9-16(11-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424934 (CHEMBL2315435) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C25H23N5O3S/c31-30(32)20-11-7-18(8-12-20)19-9-13-22(14-10-19)33-17-24-27-28-25(34-23-5-1-2-6-23)29(24)21-4-3-15-26-16-21/h3-4,7-16,23H,1-2,5-6,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424889 (CHEMBL2315445) Show SMILES Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C19H19BrN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424933 (CHEMBL2315436) Show SMILES COc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H26N4O2S/c1-31-22-12-8-19(9-13-22)20-10-14-23(15-11-20)32-18-25-28-29-26(33-24-6-2-3-7-24)30(25)21-5-4-16-27-17-21/h4-5,8-17,24H,2-3,6-7,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50040508 (CHEMBL3361214) Show SMILES Cc1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:25.30,wD:22.23,(6.23,-16.39,;7.57,-17.16,;8.89,-16.39,;10.23,-17.16,;10.23,-18.7,;8.89,-19.47,;7.57,-18.7,;8.89,-21.01,;7.57,-21.78,;7.57,-23.32,;6.23,-24.09,;6.23,-25.63,;4.89,-26.4,;4.89,-27.94,;3.57,-28.71,;2.23,-27.94,;2.23,-26.4,;3.57,-25.63,;8.89,-24.09,;10.23,-23.32,;11.57,-24.09,;11.57,-25.63,;12.9,-26.4,;12.9,-27.94,;14.23,-28.71,;15.57,-27.94,;15.57,-26.4,;14.23,-25.63,;16.9,-28.71,;18.23,-27.94,;16.9,-30.25,;10.23,-21.78,)| Show InChI InChI=1S/C26H31N5O/c1-18-6-5-9-22(14-18)23-15-24(28-16-19-7-3-2-4-8-19)31-26(30-23)29-17-20-10-12-21(13-11-20)25(27)32/h2-9,14-15,20-21H,10-13,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t20-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...				J Med Chem 57: 10443-54 (2014) Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50424878 (CHEMBL2315456) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl Show InChI InChI=1S/C20H21ClN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...				J Med Chem 56: 437-50 (2013) Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK
					More data for this Ligand-Target Pair

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