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Compile Data Set for Download or QSAR

Found 5 hits of affinity data for UniProtKB/TrEMBL: P38646   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stress-70 protein, mitochondrial


(Homo sapiens)
BDBM50539102
PNG
(CHEMBL7075)
Show SMILES CC1(C)CC(C)(C)c2cc(N\C(S)=N\c3ccc(cc3)[N+]([O-])=O)ccc2S1
Show InChI InChI=1S/C20H23N3O2S2/c1-19(2)12-20(3,4)27-17-10-7-14(11-16(17)19)22-18(26)21-13-5-8-15(9-6-13)23(24)25/h5-11H,12H2,1-4H3,(H2,21,22,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 600n/an/an/an/an/a



Oklahoma State University

Curated by ChEMBL


Assay Description
Binding affinity to mortalin substrate binding domain (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Stress-70 protein, mitochondrial


(Homo sapiens)
BDBM50539107
PNG
(CHEMBL4639280)
Show SMILES [I-].CC1(C)CC[N+](C)(C)c2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc12
Show InChI InChI=1S/C20H24N4O3.HI/c1-20(2)11-12-24(3,4)18-10-7-15(13-17(18)20)22-19(25)21-14-5-8-16(9-6-14)23(26)27;/h5-10,13H,11-12H2,1-4H3,(H-,21,22,25);1H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 700n/an/an/an/an/a



Oklahoma State University

Curated by ChEMBL


Assay Description
Binding affinity to mortalin substrate binding domain (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Stress-70 protein, mitochondrial


(Homo sapiens)
BDBM50539121
PNG
(CHEMBL4646130)
Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)CC1(C)C
Show InChI InChI=1S/C21H26N4O2S/c1-20(2)13-21(3,4)24(5)18-11-8-15(12-17(18)20)23-19(28)22-14-6-9-16(10-7-14)25(26)27/h6-12H,13H2,1-5H3,(H2,22,23,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 500n/an/an/an/an/a



Oklahoma State University

Curated by ChEMBL


Assay Description
Binding affinity to mortalin substrate binding domain (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Stress-70 protein, mitochondrial


(Homo sapiens)
BDBM50539117
PNG
(CHEMBL4648396)
Show SMILES CN1c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2C(C)(C)C(O)C1(C)C
Show InChI InChI=1S/C22H26F3N3O2/c1-20(2)16-12-15(10-11-17(16)28(5)21(3,4)18(20)29)27-19(30)26-14-8-6-13(7-9-14)22(23,24)25/h6-12,18,29H,1-5H3,(H2,26,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 700n/an/an/an/an/a



Oklahoma State University

Curated by ChEMBL


Assay Description
Binding affinity to mortalin substrate binding domain (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Stress-70 protein, mitochondrial


(Homo sapiens)
BDBM50539108
PNG
(CHEMBL4649247)
Show SMILES CN1c2ccc(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)C(=O)C1(C)C
Show InChI InChI=1S/C21H24N4O4/c1-20(2)16-12-14(8-11-17(16)24(5)21(3,4)18(20)26)23-19(27)22-13-6-9-15(10-7-13)25(28)29/h6-12H,1-5H3,(H2,22,23,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 300n/an/an/an/an/a



Oklahoma State University

Curated by ChEMBL


Assay Description
Binding affinity to mortalin substrate binding domain (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair