Compile Data Set for Download or QSAR

Found 1097 hits Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase'   

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))	BDBM50526424 (CHEMBL4555451) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(=O)NCC#C Show InChI InChI=1S/C27H25N5O2/c1-3-13-28-26(33)20-10-7-11-24-21(20)15-18(2)32(24)27-30-23-12-14-34-17-22(23)25(31-27)29-16-19-8-5-4-6-9-19/h1,4-11,15H,12-14,16-17H2,2H3,(H,28,33)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526420 (CHEMBL4553677) Show SMILES CCC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C27H29N5O/c1-3-25(33)29-23-14-9-15-24-21(23)16-18(2)32(24)27-30-22-13-8-7-12-20(22)26(31-27)28-17-19-10-5-4-6-11-19/h4-6,9-11,14-16H,3,7-8,12-13,17H2,1-2H3,(H,29,33)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526416 (CHEMBL4535337) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCCC#N Show InChI InChI=1S/C28H28N6O/c1-19-17-23-21(27(35)30-16-8-15-29)12-7-14-25(23)34(19)28-32-24-13-6-5-11-22(24)26(33-28)31-18-20-9-3-2-4-10-20/h2-4,7,9-10,12,14,17H,5-6,8,11,13,16,18H2,1H3,(H,30,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526425 (CHEMBL4441270) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCCC#C Show InChI InChI=1S/C29H29N5O/c1-3-4-17-30-28(35)22-14-10-16-26-24(22)18-20(2)34(26)29-32-25-15-9-8-13-23(25)27(33-29)31-19-21-11-6-5-7-12-21/h1,5-7,10-12,14,16,18H,4,8-9,13,15,17,19H2,2H3,(H,30,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50508305 (CHEMBL4453010) Show SMILES Cc1cc2c(NC(=O)C=C)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C26H25N5O2/c1-3-24(32)28-21-10-7-11-23-19(21)14-17(2)31(23)26-29-22-12-13-33-16-20(22)25(30-26)27-15-18-8-5-4-6-9-18/h3-11,14H,1,12-13,15-16H2,2H3,(H,28,32)(H,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526412 (CHEMBL4551165) Show SMILES CCCC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C30H31N5O/c1-3-4-6-18-28(36)32-26-16-11-17-27-24(26)19-21(2)35(27)30-33-25-15-10-9-14-23(25)29(34-30)31-20-22-12-7-5-8-13-22/h5,7-8,11-13,16-17,19H,3-4,9-10,14-15,20H2,1-2H3,(H,32,36)(H,31,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526417 (CHEMBL4543206) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCC#N Show InChI InChI=1S/C27H26N6O/c1-18-16-22-20(26(34)29-15-14-28)11-7-13-24(22)33(18)27-31-23-12-6-5-10-21(23)25(32-27)30-17-19-8-3-2-4-9-19/h2-4,7-9,11,13,16H,5-6,10,12,15,17H2,1H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526418 (CHEMBL4463657) Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(=O)NCC#C Show InChI InChI=1S/C28H27N5O/c1-3-16-29-27(34)21-13-9-15-25-23(21)17-19(2)33(25)28-31-24-14-8-7-12-22(24)26(32-28)30-18-20-10-5-4-6-11-20/h1,4-6,9-11,13,15,17H,7-8,12,14,16,18H2,2H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526423 (CHEMBL4580172) Show SMILES Cc1cc2c(NC(=O)C#CC=C)cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C29H27N5O/c1-3-4-17-27(35)31-25-15-10-16-26-23(25)18-20(2)34(26)29-32-24-14-9-8-13-22(24)28(33-29)30-19-21-11-6-5-7-12-21/h3,5-7,10-12,15-16,18H,1,8-9,13-14,19H2,2H3,(H,31,35)(H,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526419 (CHEMBL4460205) Show SMILES CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C27H25N5O2/c1-3-8-25(33)29-22-11-7-12-24-20(22)15-18(2)32(24)27-30-23-13-14-34-17-21(23)26(31-27)28-16-19-9-5-4-6-10-19/h4-7,9-12,15H,13-14,16-17H2,1-2H3,(H,29,33)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526414 (CHEMBL4459139) Show SMILES CC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C28H27N5O/c1-3-10-26(34)30-24-15-9-16-25-22(24)17-19(2)33(25)28-31-23-14-8-7-13-21(23)27(32-28)29-18-20-11-5-4-6-12-20/h4-6,9,11-12,15-17H,7-8,13-14,18H2,1-2H3,(H,30,34)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526411 (CHEMBL4438398) Show SMILES Cc1cc2c(NC(=O)C#C)cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C26H23N5O2/c1-3-24(32)28-21-10-7-11-23-19(21)14-17(2)31(23)26-29-22-12-13-33-16-20(22)25(30-26)27-15-18-8-5-4-6-9-18/h1,4-11,14H,12-13,15-16H2,2H3,(H,28,32)(H,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526415 (CHEMBL4463689) Show SMILES CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C29H29N5O/c1-3-4-17-30-28(35)22-14-10-16-26-24(22)18-20(2)34(26)29-32-25-15-9-8-13-23(25)27(33-29)31-19-21-11-6-5-7-12-21/h5-7,10-12,14,16,18H,8-9,13,15,17,19H2,1-2H3,(H,30,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526410 (CHEMBL4558932) Show SMILES Cc1cc2c(NC(=O)C#C)cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C27H25N5O/c1-3-25(33)29-23-14-9-15-24-21(23)16-18(2)32(24)27-30-22-13-8-7-12-20(22)26(31-27)28-17-19-10-5-4-6-11-19/h1,4-6,9-11,14-16H,7-8,12-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526421 (CHEMBL4446356) Show SMILES CCCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C28H31N5O/c1-3-16-29-27(34)21-13-9-15-25-23(21)17-19(2)33(25)28-31-24-14-8-7-12-22(24)26(32-28)30-18-20-10-5-4-6-11-20/h4-6,9-11,13,15,17H,3,7-8,12,14,16,18H2,1-2H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526422 (CHEMBL4535642) Show SMILES CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCOCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C28H27N5O2/c1-3-4-14-29-27(34)21-11-8-12-25-22(21)16-19(2)33(25)28-31-24-13-15-35-18-23(24)26(32-28)30-17-20-9-6-5-7-10-20/h5-12,16H,13-15,17-18H2,1-2H3,(H,29,34)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526413 (CHEMBL4456523) Show SMILES CCC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C29H29N5O/c1-3-4-17-27(35)31-25-15-10-16-26-23(25)18-20(2)34(26)29-32-24-14-9-8-13-22(24)28(33-29)30-19-21-11-6-5-7-12-21/h5-7,10-12,15-16,18H,3,8-9,13-14,19H2,1-2H3,(H,31,35)(H,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144 BindingDB Entry DOI: 10.7270/Q24171H0
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50558084 (CHEMBL4799933) Show SMILES Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00396 BindingDB Entry DOI: 10.7270/Q2930XVT
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50558084 (CHEMBL4799933) Show SMILES Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM A...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00396 BindingDB Entry DOI: 10.7270/Q2930XVT
					More data for this Ligand-Target Pair
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))	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))	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	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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

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