Compile Data Set for Download or QSAR

Found 1012 hits of ic50 for UniProtKB: P55072   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50500324 (CHEMBL3747448) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C25H25N5O/c1-16-14-20-18(23(26)31)11-7-13-22(20)30(16)25-28-21-12-6-5-10-19(21)24(29-25)27-15-17-8-3-2-4-9-17/h2-4,7-9,11,13-14H,5-6,10,12,15H2,1H3,(H2,26,31)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cleave Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay				J Med Chem 58: 9480-97 (2015) Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50587862 (CHEMBL5206855) Show SMILES CC(C)NCCC#Cc1ccc(OCc2cnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113446 BindingDB Entry DOI: 10.7270/Q24Q7ZXF
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50514008 (CHEMBL4450581 | US10894782, No 11) Show SMILES CC(C)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C26H31N5OS/c1-19(2)28-15-6-8-21-12-13-23(16-20(21)3)32-18-25-29-30-26(33-24-10-4-5-11-24)31(25)22-9-7-14-27-17-22/h7,9,12-14,16-17,19,24,28H,4-5,10-11,15,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity by biomol green reagent based assay				J Med Chem 63: 1892-1907 (2020) Article DOI: 10.1021/acs.jmedchem.9b01318 BindingDB Entry DOI: 10.7270/Q2N58QQC
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50514008 (CHEMBL4450581 | US10894782, No 11) Show SMILES CC(C)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C26H31N5OS/c1-19(2)28-15-6-8-21-12-13-23(16-20(21)3)32-18-25-29-30-26(33-24-10-4-5-11-24)31(25)22-9-7-14-27-17-22/h7,9,12-14,16-17,19,24,28H,4-5,10-11,15,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50514004 (CHEMBL4476693) Show SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(cc3F)C#CCOC(=O)NC3CCN(C)CC3)n2-c2cccnc2)C1([2H])[2H] Show InChI InChI=1S/C30H33F2N5O3S/c1-36-13-10-22(11-14-36)35-30(38)39-15-5-6-21-16-27(32)28(17-26(21)31)40-20-24-19-34-29(41-25-8-2-3-9-25)37(24)23-7-4-12-33-18-23/h4,7,12,16-19,22,25H,2-3,8-11,13-15,20H2,1H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113446 BindingDB Entry DOI: 10.7270/Q24Q7ZXF
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50514004 (CHEMBL4476693) Show SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(cc3F)C#CCOC(=O)NC3CCN(C)CC3)n2-c2cccnc2)C1([2H])[2H] Show InChI InChI=1S/C30H33F2N5O3S/c1-36-13-10-22(11-14-36)35-30(38)39-15-5-6-21-16-27(32)28(17-26(21)31)40-20-24-19-34-29(41-25-8-2-3-9-25)37(24)23-7-4-12-33-18-23/h4,7,12,16-19,22,25H,2-3,8-11,13-15,20H2,1H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity by biomol green reagent based assay				J Med Chem 63: 1892-1907 (2020) Article DOI: 10.1021/acs.jmedchem.9b01318 BindingDB Entry DOI: 10.7270/Q2N58QQC
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478271 (US10894782, No 124) Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F Show InChI InChI=1S/C29H32F2N6O3S/c1-36-13-10-21(11-14-36)33-29(38)39-15-5-6-20-16-25(31)26(17-24(20)30)40-19-27-34-35-28(41-23-8-2-3-9-23)37(27)22-7-4-12-32-18-22/h4,7,12,16-18,21,23H,2-3,8-11,13-15,19H2,1H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478177 (US10894782, No 30) Show SMILES CC(C)N1CCN(CC1)C1(CNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CCC1 |c:34| Show InChI InChI=1S/C37H47N7O3S/c1-28(2)42-19-21-43(22-20-42)37(16-9-17-37)27-39-36(45)46-23-8-10-30-14-15-32(24-29(30)3)47-26-34-40-41-35(48-33-12-5-4-6-13-33)44(34)31-11-7-18-38-25-31/h5,7,11-12,14-15,18,24-25,28,33H,4,6,9,13,16-17,19-23,26-27H2,1-3H3,(H,39,45)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50500325 (Cb 5083 | Cb-5083) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113446 BindingDB Entry DOI: 10.7270/Q24Q7ZXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50500325 (Cb 5083 | Cb-5083) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cleave Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay				J Med Chem 58: 9480-97 (2015) Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 100 uM ATP as subst...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00396 BindingDB Entry DOI: 10.7270/Q2930XVT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478267 (US10894782, No 120) Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1c(F)cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:31| Show InChI InChI=1S/C30H32F2N6O3S/c1-37-14-11-21(12-15-37)34-30(39)40-16-6-10-25-26(31)17-23(18-27(25)32)41-20-28-35-36-29(42-24-8-3-2-4-9-24)38(28)22-7-5-13-33-19-22/h3,5,7-8,13,17-19,21,24H,2,4,9,11-12,14-16,20H2,1H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478266 (US10894782, No 119) Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:31| Show InChI InChI=1S/C30H32F2N6O3S/c1-37-14-11-22(12-15-37)34-30(39)40-16-6-7-21-17-26(32)27(18-25(21)31)41-20-28-35-36-29(42-24-9-3-2-4-10-24)38(28)23-8-5-13-33-19-23/h3,5,8-9,13,17-19,22,24H,2,4,10-12,14-16,20H2,1H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478224 (US10894782, No 107 | US10894782, No 77) Show SMILES CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2F)CC1 |c:29| Show InChI InChI=1S/C31H36FN7O3S/c1-37-16-18-38(19-17-37)15-14-34-31(40)41-20-6-7-24-11-12-26(21-28(24)32)42-23-29-35-36-30(43-27-9-3-2-4-10-27)39(29)25-8-5-13-33-22-25/h3,5,8-9,11-13,21-22,27H,2,4,10,14-20,23H2,1H3,(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478222 (US10894782, No 108 | US10894782, No 75) Show SMILES CN1CCN(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30| Show InChI InChI=1S/C30H35N7O3S/c1-23-20-26(13-12-24(23)8-7-19-39-30(38)34-36-17-15-35(2)16-18-36)40-22-28-32-33-29(41-27-10-4-3-5-11-27)37(28)25-9-6-14-31-21-25/h4,6,9-10,12-14,20-21,27H,3,5,11,15-19,22H2,1-2H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50500319 (CHEMBL3746179) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)-c1nnn[nH]1 Show InChI InChI=1S/C24H23N9/c1-15-12-18-17(23-29-31-32-30-23)8-5-9-21(18)33(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28)(H,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Cleave Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay				J Med Chem 58: 9480-97 (2015) Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM536747 (US11247985, Table 3.51) Show SMILES CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q509B
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468106 (CHEMBL4280801 | US11247985, Table 3.49) Show SMILES CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1 Show InChI InChI=1S/C29H38FN5/c1-33-14-16-35(17-15-33)29(10-3-11-29)21-31-25-8-12-34(13-9-25)26-5-2-4-22(19-26)28-20-23-18-24(30)6-7-27(23)32-28/h2,4-7,18-20,25,31-32H,3,8-17,21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q509B
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478273 (US10894782, No 126) Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F Show InChI InChI=1S/C29H33FN6O3S/c1-35-15-12-22(13-16-35)32-29(37)38-17-5-6-21-10-11-24(18-26(21)30)39-20-27-33-34-28(40-25-8-2-3-9-25)36(27)23-7-4-14-31-19-23/h4,7,10-11,14,18-19,22,25H,2-3,8-9,12-13,15-17,20H2,1H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478272 (US10894782, No 125) Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C30H36N6O3S/c1-22-19-26(12-11-23(22)7-6-18-38-30(37)32-24-13-16-35(2)17-14-24)39-21-28-33-34-29(40-27-9-3-4-10-27)36(28)25-8-5-15-31-20-25/h5,8,11-12,15,19-20,24,27H,3-4,9-10,13-14,16-18,21H2,1-2H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478265 (US10894782, No 118) Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)c(F)c1F |c:30| Show InChI InChI=1S/C30H32F2N6O3S/c1-37-16-13-22(14-17-37)34-30(39)40-18-6-7-21-11-12-25(28(32)27(21)31)41-20-26-35-36-29(42-24-9-3-2-4-10-24)38(26)23-8-5-15-33-19-23/h3,5,8-9,11-12,15,19,22,24H,2,4,10,13-14,16-18,20H2,1H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478269 (US10894782, No 122) Show SMILES COc1cc(C#CCOC(=O)NC2CCN(C)CC2)c(F)cc1OCc1nnc(SC2CCCC=C2)n1-c1cccnc1 |c:36| Show InChI InChI=1S/C31H35FN6O4S/c1-37-15-12-23(13-16-37)34-31(39)41-17-7-8-22-18-27(40-2)28(19-26(22)32)42-21-29-35-36-30(43-25-10-4-3-5-11-25)38(29)24-9-6-14-33-20-24/h4,6,9-10,14,18-20,23,25H,3,5,11-13,15-17,21H2,1-2H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478176 (US10894782, No 29 | US10894782, No 60 | US10894782...) Show SMILES CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31| Show InChI InChI=1S/C34H43N7O3S/c1-26(2)40-20-18-39(19-21-40)17-16-36-34(42)43-22-8-9-28-13-14-30(23-27(28)3)44-25-32-37-38-33(45-31-11-5-4-6-12-31)41(32)29-10-7-15-35-24-29/h5,7,10-11,13-15,23-24,26,31H,4,6,12,16-22,25H2,1-3H3,(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478176 (US10894782, No 29 | US10894782, No 60 | US10894782...) Show SMILES CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31| Show InChI InChI=1S/C34H43N7O3S/c1-26(2)40-20-18-39(19-21-40)17-16-36-34(42)43-22-8-9-28-13-14-30(23-27(28)3)44-25-32-37-38-33(45-31-11-5-4-6-12-31)41(32)29-10-7-15-35-24-29/h5,7,10-11,13-15,23-24,26,31H,4,6,12,16-22,25H2,1-3H3,(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478261 (US10894782, No 114) Show SMILES OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:20| Show InChI InChI=1S/C23H20F2N4O2S/c24-19-13-21(20(25)12-16(19)6-5-11-30)31-15-22-27-28-23(32-18-8-2-1-3-9-18)29(22)17-7-4-10-26-14-17/h2,4,7-8,10,12-14,18,30H,1,3,9,11,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478224 (US10894782, No 107 | US10894782, No 77) Show SMILES CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2F)CC1 |c:29| Show InChI InChI=1S/C31H36FN7O3S/c1-37-16-18-38(19-17-37)15-14-34-31(40)41-20-6-7-24-11-12-26(21-28(24)32)42-23-29-35-36-30(43-27-9-3-2-4-10-27)39(29)25-8-5-13-33-22-25/h3,5,8-9,11-13,21-22,27H,2,4,10,14-20,23H2,1H3,(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468108 (CHEMBL4280125 | US11247985, Table 3.59) Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CC1 Show InChI InChI=1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human p97				J Med Chem 63: 1892-1907 (2020) Article DOI: 10.1021/acs.jmedchem.9b01318 BindingDB Entry DOI: 10.7270/Q2N58QQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468106 (CHEMBL4280801 | US11247985, Table 3.49) Show SMILES CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1 Show InChI InChI=1S/C29H38FN5/c1-33-14-16-35(17-15-33)29(10-3-11-29)21-31-25-8-12-34(13-9-25)26-5-2-4-22(19-26)28-20-23-18-24(30)6-7-27(23)32-28/h2,4-7,18-20,25,31-32H,3,8-17,21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of recombinant full length human p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2 (DE3) using 100 uM ATP as substrate after...				ACS Med Chem Lett 9: 1075-1081 (2018) Article DOI: 10.1021/acsmedchemlett.8b00372 BindingDB Entry DOI: 10.7270/Q23F4SBJ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478253 (US10894782, No 106) Show SMILES CNC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F Show InChI InChI=1S/C24H24FN5O3S/c1-26-24(31)32-13-5-6-17-10-11-19(14-21(17)25)33-16-22-28-29-23(34-20-8-2-3-9-20)30(22)18-7-4-12-27-15-18/h4,7,10-12,14-15,20H,2-3,8-9,13,16H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478152 (US10894782, No 5) Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1C#CC#N Show InChI InChI=1S/C23H21N5OS/c1-17-14-20(11-10-18(17)6-4-12-24)29-16-22-26-27-23(30-21-8-2-3-9-21)28(22)19-7-5-13-25-15-19/h5,7,10-11,13-15,21H,2-3,8-9,16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478270 (US10894782, No 123) Show SMILES OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F Show InChI InChI=1S/C22H20F2N4O2S/c23-18-12-20(19(24)11-15(18)5-4-10-29)30-14-21-26-27-22(31-17-7-1-2-8-17)28(21)16-6-3-9-25-13-16/h3,6,9,11-13,17,29H,1-2,7-8,10,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50500347 (CHEMBL3747049) Show SMILES Cc1cc2c(cccc2n1-c1nc2COCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-19-17(22(25)30)8-5-9-21(19)29(15)24-27-20-14-31-11-10-18(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Cleave Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay				J Med Chem 58: 9480-97 (2015) Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478179 (US10894782, No 32) Show SMILES CC(C)N1CCCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CC1 Show InChI InChI=1S/C34H45N7O3S/c1-26(2)40-18-8-17-39(20-21-40)19-16-36-34(42)43-22-7-9-28-13-14-30(23-27(28)3)44-25-32-37-38-33(45-31-11-4-5-12-31)41(32)29-10-6-15-35-24-29/h6,10,13-15,23-24,26,31H,4-5,8,11-12,16-22,25H2,1-3H3,(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
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))	BDBM478241 (US10894782, No 112 | US10894782, No 94) Show SMILES CCC(=O)NCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:23| Show InChI InChI=1S/C27H29N5O2S/c1-3-26(33)29-16-7-9-21-13-14-23(17-20(21)2)34-19-25-30-31-27(35-24-11-5-4-6-12-24)32(25)22-10-8-15-28-18-22/h5,8,10-11,13-15,17-18,24H,3-4,6,12,16,19H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM536749 (US11247985, Table 3.53) Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2ccc(C)c(c2)-c2cc3cc(F)ccc3[nH]2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q509B
					More data for this Ligand-Target Pair
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))	BDBM478222 (US10894782, No 108 | US10894782, No 75) Show SMILES CN1CCN(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30| Show InChI InChI=1S/C30H35N7O3S/c1-23-20-26(13-12-24(23)8-7-19-39-30(38)34-36-17-15-35(2)16-18-36)40-22-28-32-33-29(41-27-10-4-3-5-11-27)37(28)25-9-6-14-31-21-25/h4,6,9-10,12-14,20-21,27H,3,5,11,15-19,22H2,1-2H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478168 (US10894782, No 100 | US10894782, No 21) Show SMILES CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2C)CC1 Show InChI InChI=1S/C33H43N7O3S/c1-25(2)39-19-17-38(18-20-39)16-15-35-33(41)42-21-7-8-27-12-13-29(22-26(27)3)43-24-31-36-37-32(44-30-10-4-5-11-30)40(31)28-9-6-14-34-23-28/h6,9,12-14,22-23,25,30H,4-5,10-11,15-21,24H2,1-3H3,(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478206 (US10894782, No 59) Show SMILES CN1CCN(CCNC(=O)OCC#Cc2ccc(OCc3nnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:29| Show InChI InChI=1S/C32H39N7O3S/c1-25-22-28(13-12-26(25)8-7-21-41-32(40)34-15-16-38-19-17-37(2)18-20-38)42-24-30-35-36-31(43-29-10-4-3-5-11-29)39(30)27-9-6-14-33-23-27/h4,6,9-10,12-14,22-23,29H,3,5,11,15-21,24H2,1-2H3,(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50514013 (CHEMBL4445673 | US11247985, Table 3.55) Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)CC1 Show InChI InChI=1S/C29H38N6/c1-22(2)34-16-14-33(15-17-34)13-10-31-26-8-11-35(12-9-26)27-5-3-4-24(19-27)29-20-25-18-23(21-30)6-7-28(25)32-29/h3-7,18-20,22,26,31-32H,8-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q509B
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM536753 (US11247985, Table 3.57) Show SMILES CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C#N)CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q509B
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50588375 (CHEMBL5189708) Show SMILES Cc1cc2c(NC(=O)C=C)cccc2n1-c1nc2CCCc2c(NCc2cccc(O)c2)n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.117050 BindingDB Entry DOI: 10.7270/Q2D222MP
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478244 (US10894782, No 97) Show SMILES OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1F |c:19| Show InChI InChI=1S/C23H21FN4O2S/c24-21-14-19(11-10-17(21)6-5-13-29)30-16-22-26-27-23(31-20-8-2-1-3-9-20)28(22)18-7-4-12-25-15-18/h2,4,7-8,10-12,14-15,20,29H,1,3,9,13,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478218 (US10894782, No 71) Show SMILES CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3cnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31| Show InChI InChI=1S/C35H44N6O3S/c1-27(2)40-20-18-39(19-21-40)17-16-37-35(42)43-22-8-9-29-13-14-32(23-28(29)3)44-26-31-25-38-34(45-33-11-5-4-6-12-33)41(31)30-10-7-15-36-24-30/h5,7,10-11,13-15,23-25,27,33H,4,6,12,16-22,26H2,1-3H3,(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478239 (US10894782, No 92) Show SMILES Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)C=C |c:15| Show InChI InChI=1S/C27H27N5O2S/c1-3-26(33)29-16-7-9-21-13-14-23(17-20(21)2)34-19-25-30-31-27(35-24-11-5-4-6-12-24)32(25)22-10-8-15-28-18-22/h3,5,8,10-11,13-15,17-18,24H,1,4,6,12,16,19H2,2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478171 (US10894782, No 24) Show SMILES CNC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C25H27N5O3S/c1-18-15-21(12-11-19(18)7-6-14-32-25(31)26-2)33-17-23-28-29-24(34-22-9-3-4-10-22)30(23)20-8-5-13-27-16-20/h5,8,11-13,15-16,22H,3-4,9-10,14,17H2,1-2H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468108 (CHEMBL4280125 | US11247985, Table 3.59) Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CC1 Show InChI InChI=1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q509B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50500325 (Cb 5083 | Cb-5083) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Normal University Curated by ChEMBL					Assay Description Inhibition of human p97 using ATP as substrate after 60 mins by ADP-Glo assay				Bioorg Med Chem 27: 533-544 (2019) Article DOI: 10.1016/j.bmc.2018.12.036 BindingDB Entry DOI: 10.7270/Q2RX9GDB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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

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