Found 21 hits of ki 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)) | 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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) | 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) | 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 | |
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