Found 82 hits of Enzyme Inhibition Constant Data 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)) | 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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| PC cid
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| Article
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| 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)) | 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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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)) | 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
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| PC cid
PC sid
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| Article
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| 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)) | 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
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| 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)) | BDBM50500310
(CHEMBL3747647)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
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| n/a | n/a | 40 | 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)) | BDBM163143
(US9062026, Table III, Compound 71)Show InChI InChI=1S/C24H24N4O/c1-29-22-15-18-11-5-8-14-21(18)28(22)24-26-20-13-7-6-12-19(20)23(27-24)25-16-17-9-3-2-4-10-17/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27) | PDB
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| PC cid
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| n/a | n/a | 43 | 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)) | BDBM163134
(US9062026, Table III, Compound 62)Show InChI InChI=1S/C24H24N4/c1-17-15-19-11-5-8-14-22(19)28(17)24-26-21-13-7-6-12-20(21)23(27-24)25-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27) | PDB
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| n/a | n/a | 47 | 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)) | BDBM163144
(US9062026, Table III, Compound 72)Show InChI InChI=1S/C24H24N4O/c29-16-19-14-18-10-4-7-13-22(18)28(19)24-26-21-12-6-5-11-20(21)23(27-24)25-15-17-8-2-1-3-9-17/h1-4,7-10,13-14,29H,5-6,11-12,15-16H2,(H,25,26,27) | PDB
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| n/a | n/a | 68 | 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)) | BDBM50500321
(CHEMBL3745888)Show SMILES Cc1cc2c(cccc2n1-c1nc2CNCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-19-17(22(25)31)8-5-9-21(19)30(15)24-28-20-14-26-11-10-18(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 71 | 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)) | BDBM50500323
(CHEMBL3746353)Show InChI InChI=1S/C23H23N5O/c1-29-23-26-19-13-7-8-14-20(19)28(23)22-25-18-12-6-5-11-17(18)21(27-22)24-15-16-9-3-2-4-10-16/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,27) | PDB
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| PC cid
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| Article
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| n/a | n/a | 76 | 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)) | BDBM50500318
(CHEMBL3746650)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(23(30)31)8-5-9-21(18)29(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,30,31)(H,26,27,28) | PDB
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| PC cid
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| n/a | n/a | 95 | 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)) | BDBM50500339
(CHEMBL3747498)Show InChI InChI=1S/C23H23N5/c1-16-25-20-13-7-8-14-21(20)28(16)23-26-19-12-6-5-11-18(19)22(27-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,26,27) | PDB
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| PC cid
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| Article
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| n/a | n/a | 98 | 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)) | BDBM50500316
(CHEMBL3746000)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N Show InChI InChI=1S/C24H22N6/c1-16-12-19-18(13-25)8-5-9-22(19)30(16)24-28-21-10-11-26-15-20(21)23(29-24)27-14-17-6-3-2-4-7-17/h2-9,12,26H,10-11,14-15H2,1H3,(H,27,28,29) | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 144 | 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)) | BDBM163082
(US9062026, Table III, Compound 10)Show SMILES COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 Show InChI InChI=1S/C24H21N5O2/c1-30-20-14-8-11-17-21(20)27-23(28-22(17)25-15-16-9-4-3-5-10-16)29-19-13-7-6-12-18(19)26-24(29)31-2/h3-14H,15H2,1-2H3,(H,25,27,28) | PDB
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| PC cid
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| n/a | n/a | 145 | 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)) | BDBM50500337
(CHEMBL3747075)Show SMILES Cc1[nH]c2ccccc2c1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H24N4/c1-16-22(18-11-5-7-13-20(18)26-16)24-27-21-14-8-6-12-19(21)23(28-24)25-15-17-9-3-2-4-10-17/h2-5,7,9-11,13,26H,6,8,12,14-15H2,1H3,(H,25,27,28) | PDB
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| n/a | n/a | 149 | 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)) | BDBM163080
(US9062026, Table III, Compound 8)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12 Show InChI InChI=1S/C24H21N5O/c1-16-26-19-12-6-7-13-20(19)29(16)24-27-22-18(11-8-14-21(22)30-2)23(28-24)25-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,25,27,28) | PDB
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| n/a | n/a | 152 | 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)) | BDBM163136
(US9062026, Table III, Compound 64 | US9062026, Tab...)Show InChI InChI=1S/C24H25N5/c25-15-19-14-18-10-4-7-13-22(18)29(19)24-27-21-12-6-5-11-20(21)23(28-24)26-16-17-8-2-1-3-9-17/h1-4,7-10,13-14H,5-6,11-12,15-16,25H2,(H,26,27,28) | PDB
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| n/a | n/a | 153 | 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)) | BDBM163092
(US9062026, Table III, Compound 20)Show InChI InChI=1S/C20H16N6OS/c1-27-20-23-14-9-5-6-10-15(14)26(20)19-24-17(16-18(25-19)28-12-22-16)21-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,24,25) | PDB
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| n/a | n/a | 180 | 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)) | BDBM163115
(US9062026, Table III, Compound 43)Show InChI InChI=1S/C23H23N5/c1-16-13-18-9-5-6-10-21(18)28(16)23-26-20-11-12-24-15-19(20)22(27-23)25-14-17-7-3-2-4-8-17/h2-10,13,24H,11-12,14-15H2,1H3,(H,25,26,27) | PDB
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| PC cid
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| n/a | n/a | 192 | 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)) | BDBM50500320
(CHEMBL3747639)Show SMILES CNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C25H26N6O/c1-16-13-19-18(24(32)26-2)9-6-10-22(19)31(16)25-29-21-11-12-27-15-20(21)23(30-25)28-14-17-7-4-3-5-8-17/h3-10,13,27H,11-12,14-15H2,1-2H3,(H,26,32)(H,28,29,30) | PDB
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| n/a | n/a | 215 | 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)) | BDBM163098
(US9062026, Table III, Compound 26)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(nc2ccccc12)N(C)C Show InChI InChI=1S/C25H24N6O/c1-30(2)25-27-19-13-7-8-14-20(19)31(25)24-28-22-18(12-9-15-21(22)32-3)23(29-24)26-16-17-10-5-4-6-11-17/h4-15H,16H2,1-3H3,(H,26,28,29) | PDB
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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)) | BDBM163097
(US9062026, Table III, Compound 25)Show SMILES CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 Show InChI InChI=1S/C24H22N6O/c1-25-23-27-18-12-6-7-13-19(18)30(23)24-28-21-17(11-8-14-20(21)31-2)22(29-24)26-15-16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,25,27)(H,26,28,29) | PDB
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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)) | BDBM50500312
(CHEMBL3746787)Show InChI InChI=1S/C23H23N5/c1-16-21(28-14-8-7-13-20(28)25-16)23-26-19-12-6-5-11-18(19)22(27-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,26,27) | PDB
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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)) | 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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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as reduction in p62 protein incubated for 6 hrs by immunofluorescence 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)) | BDBM50500335
(CHEMBL3746988)Show SMILES COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12 Show InChI InChI=1S/C26H25N5O2/c1-18-28-21-12-6-7-13-22(21)31(18)26-29-24-20(11-8-14-23(24)33-16-15-32-2)25(30-26)27-17-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3,(H,27,29,30) | PDB
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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)) | BDBM50500309
(CHEMBL3745805)Show SMILES Cc1cc2c(F)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C23H22FN5/c1-15-12-17-19(24)8-5-9-21(17)29(15)23-27-20-10-11-25-14-18(20)22(28-23)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28) | PDB
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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)) | BDBM50500307
(CHEMBL3746833)Show InChI InChI=1S/C23H23N5/c1-16-21(20-13-7-8-14-28(20)27-16)23-25-19-12-6-5-11-18(19)22(26-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,26) | PDB
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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)) | BDBM50500331
(CHEMBL3220939)Show SMILES ClCC(=O)Nc1cccc(NC2=NS(=O)(=O)c3ccccc23)c1 |t:11| Show InChI InChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19) | PDB
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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase (unknown origin) |
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)) | BDBM163139
(US9062026, Table III, Compound 67)Show SMILES COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(OC)nc2ccccc12 Show InChI InChI=1S/C26H25N5O3/c1-32-15-16-34-22-14-8-11-19-23(22)29-25(30-24(19)27-17-18-9-4-3-5-10-18)31-21-13-7-6-12-20(21)28-26(31)33-2/h3-14H,15-17H2,1-2H3,(H,27,29,30) | PDB
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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)) | BDBM50500327
(CHEMBL3746037)Show InChI InChI=1S/C22H22N6/c23-21-25-18-12-6-7-13-19(18)28(21)22-26-17-11-5-4-10-16(17)20(27-22)24-14-15-8-2-1-3-9-15/h1-3,6-9,12-13H,4-5,10-11,14H2,(H2,23,25)(H,24,26,27) | PDB
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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)) | BDBM163135
(US9062026, Table III, Compound 63)Show InChI InChI=1S/C25H26N4/c1-2-20-16-19-12-6-9-15-23(19)29(20)25-27-22-14-8-7-13-21(22)24(28-25)26-17-18-10-4-3-5-11-18/h3-6,9-12,15-16H,2,7-8,13-14,17H2,1H3,(H,26,27,28) | PDB
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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)) | 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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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as reduction in p62 protein incubated for 6 hrs by immunofluorescence 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) |
DNA-dependent protein kinase catalytic subunit
(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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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DNAPK (unknown origin) |
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)) | 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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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence as... |
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)) | 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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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence a... |
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)) | BDBM50500332
(CHEMBL3747140)Show SMILES Cc1cc2c(Cl)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C23H22ClN5/c1-15-12-17-19(24)8-5-9-21(17)29(15)23-27-20-10-11-25-14-18(20)22(28-23)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28) | PDB
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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)) | BDBM50500315
(CHEMBL3747371)Show SMILES Cc1cc2c(C)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H25N5/c1-16-7-6-10-22-19(16)13-17(2)29(22)24-27-21-11-12-25-15-20(21)23(28-24)26-14-18-8-4-3-5-9-18/h3-10,13,25H,11-12,14-15H2,1-2H3,(H,26,27,28) | PDB
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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)) | BDBM50500306
(CHEMBL3747138)Show SMILES FC(F)(F)c1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H21F3N4/c25-24(26,27)21-14-17-10-4-7-13-20(17)31(21)23-29-19-12-6-5-11-18(19)22(30-23)28-15-16-8-2-1-3-9-16/h1-4,7-10,13-14H,5-6,11-12,15H2,(H,28,29,30) | PDB
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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)) | 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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Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence as... |
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)) | BDBM163145
(US9062026, Table III, Compound 73)Show SMILES COCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C25H26N4O/c1-30-17-20-15-19-11-5-8-14-23(19)29(20)25-27-22-13-7-6-12-21(22)24(28-25)26-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16-17H2,1H3,(H,26,27,28) | PDB
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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)) | BDBM50500322
(CHEMBL3746912)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28) | PDB
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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)) | BDBM163086
(US9062026, Table III, Compound 14)Show SMILES COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C25H24N6O2/c1-32-14-15-33-21-13-7-10-18-22(21)29-25(30-23(18)27-16-17-8-3-2-4-9-17)31-20-12-6-5-11-19(20)28-24(31)26/h2-13H,14-16H2,1H3,(H2,26,28)(H,27,29,30) | PDB
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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)) | 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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| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence a... |
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)) | BDBM163106
(US9062026, Table III, Compound 34)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H19N5O2/c1-30-19-13-7-10-16-20(19)26-22(27-21(16)24-14-15-8-3-2-4-9-15)28-18-12-6-5-11-17(18)25-23(28)29/h2-13H,14H2,1H3,(H,25,29)(H,24,26,27) | PDB
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| n/a | n/a | 1.07E+3 | 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)) | BDBM50500310
(CHEMBL3747647)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
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| n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence as... |
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)) | BDBM50500310
(CHEMBL3747647)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as reduction in p62 protein incubated for 6 hrs by immunofluorescence 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)) | BDBM50500338
(CHEMBL3747194)Show SMILES COc1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H25N5O/c1-16-13-18-21(9-6-10-22(18)30-2)29(16)24-27-20-11-12-25-15-19(20)23(28-24)26-14-17-7-4-3-5-8-17/h3-10,13,25H,11-12,14-15H2,1-2H3,(H,26,27,28) | PDB
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| n/a | n/a | 2.08E+3 | 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)) | BDBM50500310
(CHEMBL3747647)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
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| n/a | n/a | 2.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence a... |
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)) | BDBM50500305
(CHEMBL3747511)Show InChI InChI=1S/C20H16N6S/c21-19-23-15-8-4-5-9-16(15)26(19)20-24-17(14-10-11-27-18(14)25-20)22-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,23)(H,22,24,25) | PDB
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| n/a | n/a | 3.00E+3 | 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)) | BDBM163114
(US9062026, Table III, Compound 42)Show InChI InChI=1S/C22H22N6O/c1-29-22-26-18-9-5-6-10-19(18)28(22)21-25-17-11-12-23-14-16(17)20(27-21)24-13-15-7-3-2-4-8-15/h2-10,23H,11-14H2,1H3,(H,24,25,27) | PDB
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| n/a | n/a | 3.13E+3 | 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)) | BDBM50500314
(CHEMBL3747097)Show SMILES Cc1cc2ccc(C)cc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H25N5/c1-16-8-9-19-13-17(2)29(22(19)12-16)24-27-21-10-11-25-15-20(21)23(28-24)26-14-18-6-4-3-5-7-18/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28) | PDB
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| n/a | n/a | 3.86E+3 | 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)) | BDBM50500317
(CHEMBL3747600)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5/c1-15-12-17-19(24(25,26)27)8-5-9-21(17)32(15)23-30-20-10-11-28-14-18(20)22(31-23)29-13-16-6-3-2-4-7-16/h2-9,12,28H,10-11,13-14H2,1H3,(H,29,30,31) | PDB
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| n/a | n/a | 3.91E+3 | 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)) | BDBM50500323
(CHEMBL3746353)Show InChI InChI=1S/C23H23N5O/c1-29-23-26-19-13-7-8-14-20(19)28(23)22-25-18-12-6-5-11-17(18)21(27-22)24-15-16-9-3-2-4-10-16/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,27) | PDB
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| n/a | n/a | 4.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence as... |
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)) | BDBM50500311
(CHEMBL3746629)Show SMILES CC(C)NC(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C27H30N6O/c1-17(2)30-26(34)20-10-7-11-24-21(20)14-18(3)33(24)27-31-23-12-13-28-16-22(23)25(32-27)29-15-19-8-5-4-6-9-19/h4-11,14,17,28H,12-13,15-16H2,1-3H3,(H,30,34)(H,29,31,32) | PDB
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| n/a | n/a | 4.83E+3 | 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)) | BDBM50500323
(CHEMBL3746353)Show InChI InChI=1S/C23H23N5O/c1-29-23-26-19-13-7-8-14-20(19)28(23)22-25-18-12-6-5-11-17(18)21(27-22)24-15-16-9-3-2-4-10-16/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,27) | PDB
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| n/a | n/a | 4.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as reduction in p62 protein incubated for 6 hrs by immunofluorescence 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)) | BDBM50500345
(CHEMBL3747081)Show InChI InChI=1S/C22H22N6/c1-15-25-19-9-5-6-10-20(19)28(15)22-26-18-11-12-23-14-17(18)21(27-22)24-13-16-7-3-2-4-8-16/h2-10,23H,11-14H2,1H3,(H,24,26,27) | PDB
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| n/a | n/a | >5.00E+3 | 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)) | BDBM50500348
(CHEMBL3747464)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc(C)c1C Show InChI InChI=1S/C21H22N6O/c1-13-14(2)27(20(22)24-13)21-25-18-16(10-7-11-17(18)28-3)19(26-21)23-12-15-8-5-4-6-9-15/h4-11H,12H2,1-3H3,(H2,22,24)(H,23,25,26) | PDB
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| n/a | n/a | >5.00E+3 | 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)) | BDBM50500304
(CHEMBL3745860)Show SMILES COc1cccc2c(NC(C)c3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C24H22N6O/c1-15(16-9-4-3-5-10-16)26-22-17-11-8-14-20(31-2)21(17)28-24(29-22)30-19-13-7-6-12-18(19)27-23(30)25/h3-15H,1-2H3,(H2,25,27)(H,26,28,29) | PDB
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| n/a | n/a | >5.00E+3 | 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)) | BDBM163081
(US9062026, Table III, Compound 9)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1cnc2ccccc12 Show InChI InChI=1S/C23H19N5O/c1-29-20-13-7-10-17-21(20)26-23(28-15-25-18-11-5-6-12-19(18)28)27-22(17)24-14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,24,26,27) | PDB
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| n/a | n/a | >5.00E+3 | 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)) | BDBM50500313
(CHEMBL3746469)Show SMILES COc1ccc2n(c(C)cc2c1)-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H25N5O/c1-16-12-18-13-19(30-2)8-9-22(18)29(16)24-27-21-10-11-25-15-20(21)23(28-24)26-14-17-6-4-3-5-7-17/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28) | PDB
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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)) | BDBM50500344
(CHEMBL3747425)Show SMILES COc1cccc2c(OCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C23H19N5O2/c1-29-19-13-7-10-16-20(19)26-23(27-21(16)30-14-15-8-3-2-4-9-15)28-18-12-6-5-11-17(18)25-22(28)24/h2-13H,14H2,1H3,(H2,24,25) | PDB
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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)) | BDBM50500346
(CHEMBL3746827)Show SMILES Cc1cc2cc(ccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N Show InChI InChI=1S/C24H22N6/c1-16-11-19-12-18(13-25)7-8-22(19)30(16)24-28-21-9-10-26-15-20(21)23(29-24)27-14-17-5-3-2-4-6-17/h2-8,11-12,26H,9-10,14-15H2,1H3,(H,27,28,29) | PDB
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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)) | BDBM50500336
(CHEMBL3747272)Show InChI InChI=1S/C21H21N7/c22-20-25-17-8-4-5-9-18(17)28(20)21-26-16-10-11-23-13-15(16)19(27-21)24-12-14-6-2-1-3-7-14/h1-9,23H,10-13H2,(H2,22,25)(H,24,26,27) | PDB
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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)) | BDBM163142
(US9062026, Table III, Compound 70)Show SMILES CCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 Show InChI InChI=1S/C25H23N5O/c1-3-22-27-19-13-7-8-14-20(19)30(22)25-28-23-18(12-9-15-21(23)31-2)24(29-25)26-16-17-10-5-4-6-11-17/h4-15H,3,16H2,1-2H3,(H,26,28,29) | PDB
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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)) | BDBM50500333
(CHEMBL3745859)Show SMILES COc1ccc2cc(C)n(-c3nc4CCNCc4c(NCc4ccccc4)n3)c2c1 Show InChI InChI=1S/C24H25N5O/c1-16-12-18-8-9-19(30-2)13-22(18)29(16)24-27-21-10-11-25-15-20(21)23(28-24)26-14-17-6-4-3-5-7-17/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28) | PDB
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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)) | BDBM50500326
(CHEMBL3746009)Show SMILES COc1cccc2c(NCc3ccccc3)nc(Cn3c(C)nc4ccccc34)nc12 Show InChI InChI=1S/C25H23N5O/c1-17-27-20-12-6-7-13-21(20)30(17)16-23-28-24-19(11-8-14-22(24)31-2)25(29-23)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3,(H,26,28,29) | PDB
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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)) | BDBM50500330
(CHEMBL3746410)Show SMILES COc1cccc2c(nc(nc12)-n1c(N)nc2ccccc12)N(C)Cc1ccccc1 Show InChI InChI=1S/C24H22N6O/c1-29(15-16-9-4-3-5-10-16)22-17-11-8-14-20(31-2)21(17)27-24(28-22)30-19-13-7-6-12-18(19)26-23(30)25/h3-14H,15H2,1-2H3,(H2,25,26) | PDB
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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)) | BDBM50500342
(CHEMBL3745761)Show SMILES COc1cccc2c(NCc3ccccc3)nc(Nc3nc4ccccc4[nH]3)nc12 Show InChI InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)24-14-15-8-3-2-4-9-15)29-22-25-17-11-5-6-12-18(17)26-22/h2-13H,14H2,1H3,(H3,24,25,26,27,28,29) | PDB
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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)) | BDBM50500334
(CHEMBL3745800)Show SMILES COc1cccc2c(CCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C24H21N5O/c1-30-21-13-7-10-17-18(15-14-16-8-3-2-4-9-16)27-24(28-22(17)21)29-20-12-6-5-11-19(20)26-23(29)25/h2-13H,14-15H2,1H3,(H2,25,26) | PDB
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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)) | BDBM50500328
(CHEMBL3747449)Show SMILES COc1cccc2c(NC(=O)c3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C23H18N6O2/c1-31-18-13-7-10-15-19(18)26-23(29-17-12-6-5-11-16(17)25-22(29)24)28-20(15)27-21(30)14-8-3-2-4-9-14/h2-13H,1H3,(H2,24,25)(H,26,27,28,30) | PDB
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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)) | BDBM163099
(US9062026, Table III, Compound 27)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(NC(C)=O)nc2ccccc12 Show InChI InChI=1S/C25H22N6O2/c1-16(32)27-24-28-19-12-6-7-13-20(19)31(24)25-29-22-18(11-8-14-21(22)33-2)23(30-25)26-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,26,29,30)(H,27,28,32) | PDB
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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)) | BDBM50500308
(CHEMBL3747091)Show SMILES Cc1cc2cc(C)ccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H25N5/c1-16-8-9-22-19(12-16)13-17(2)29(22)24-27-21-10-11-25-15-20(21)23(28-24)26-14-18-6-4-3-5-7-18/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28) | PDB
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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)) | BDBM50500329
(CHEMBL3746850)Show SMILES COc1cccc2c(NCCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C24H22N6O/c1-31-20-13-7-10-17-21(20)28-24(30-19-12-6-5-11-18(19)27-23(30)25)29-22(17)26-15-14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H2,25,27)(H,26,28,29) | PDB
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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)) | BDBM50500340
(CHEMBL3746701)Show SMILES COc1cccc2c(Cc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C23H19N5O/c1-29-20-13-7-10-16-18(14-15-8-3-2-4-9-15)26-23(27-21(16)20)28-19-12-6-5-11-17(19)25-22(28)24/h2-13H,14H2,1H3,(H2,24,25) | PDB
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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)) | BDBM50500341
(CHEMBL3746879)Show SMILES CN(C)C(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C26H28N6O/c1-17-14-20-19(25(33)31(2)3)10-7-11-23(20)32(17)26-29-22-12-13-27-16-21(22)24(30-26)28-15-18-8-5-4-6-9-18/h4-11,14,27H,12-13,15-16H2,1-3H3,(H,28,29,30) | PDB
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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)) | BDBM50500303
(CHEMBL3746907)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2CCCCc12 Show InChI InChI=1S/C23H24N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H2,24,26)(H,25,27,28) | PDB
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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)) | BDBM50500322
(CHEMBL3746912)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28) | PDB
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| n/a | n/a | 6.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence as... |
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)) | BDBM50500322
(CHEMBL3746912)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12 Show InChI InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28) | PDB
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| n/a | n/a | 6.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence a... |
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)) | BDBM50500343
(CHEMBL3747552)Show SMILES Cc1cc2ccc(cc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N Show InChI InChI=1S/C24H22N6/c1-16-11-19-8-7-18(13-25)12-22(19)30(16)24-28-21-9-10-26-15-20(21)23(29-24)27-14-17-5-3-2-4-6-17/h2-8,11-12,26H,9-10,14-15H2,1H3,(H,27,28,29) | PDB
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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)) | BDBM163115
(US9062026, Table III, Compound 43)Show InChI InChI=1S/C23H23N5/c1-16-13-18-9-5-6-10-21(18)28(16)23-26-20-11-12-24-15-19(20)22(27-23)25-14-17-7-3-2-4-8-17/h2-10,13,24H,11-12,14-15H2,1H3,(H,25,26,27) | PDB
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| n/a | n/a | 9.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence a... |
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)) | BDBM50500323
(CHEMBL3746353)Show InChI InChI=1S/C23H23N5O/c1-29-23-26-19-13-7-8-14-20(19)28(23)22-25-18-12-6-5-11-17(18)21(27-22)24-15-16-9-3-2-4-10-16/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence a... |
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)) | BDBM163115
(US9062026, Table III, Compound 43)Show InChI InChI=1S/C23H23N5/c1-16-13-18-9-5-6-10-21(18)28(16)23-26-20-11-12-24-15-19(20)22(27-23)25-14-17-7-3-2-4-8-17/h2-10,13,24H,11-12,14-15H2,1H3,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence as... |
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 | |
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