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BDBM50500325 CB-5083::Cb 5083::Cb-5083

SMILES: Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O

InChI Key: InChIKey=RDALZZCKQFLGJP-UHFFFAOYSA-N

Data: 1 KI  6 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50500325   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50500325
PNG
(CB-5083 | 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)
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26n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50500325
PNG
(CB-5083 | 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)
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n/an/a 500n/an/an/an/an/an/a



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))
BDBM50500325
PNG
(CB-5083 | 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)
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n/an/a 680n/an/an/an/an/an/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
3D
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50500325
PNG
(CB-5083 | 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)
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n/an/a 1.03E+3n/an/an/an/an/an/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
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50500325
PNG
(CB-5083 | 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)
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n/an/a 27n/an/an/an/an/an/a



Nanjing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human p97 using ATP as substrate after 60 mins by ADP-Glo assay


Bioorg Med Chem 27: 533-544 (2019)


Article DOI: 10.1016/j.bmc.2018.12.036
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50500325
PNG
(CB-5083 | 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)
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n/an/a 490n/an/an/an/an/an/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
3D
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50500325
PNG
(CB-5083 | 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)
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n/an/a 11n/an/an/an/an/an/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
3D Structure (crystal)