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Compile Data Set for Download or QSAR

Found 2 hits of kd for UniProtKB: P55072   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50514012
PNG
(CHEMBL3220938)
Show SMILES CC1(C)C(N(O)C(=O)Nc2ccc(Cl)cc2)N(C(=O)N1CC(=O)N\N=C\C=C\c1ccc(o1)[N+]([O-])=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40H,16H2,1-2H3,(H,31,38)(H,32,37)/b4-3+,30-15+
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p97 (unknown origin) by SPR 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))
BDBM50514015
PNG
(CHEMBL4514514)
Show SMILES [H][C@@]12CCCN1C(=O)c1ccccc1N\C2=C/C(=O)/C=C/c1c[nH]c2ccc(I)cc12 |r|
Show InChI InChI=1S/C24H20IN3O2/c25-16-8-10-20-19(12-16)15(14-26-20)7-9-17(29)13-22-23-6-3-11-28(23)24(30)18-4-1-2-5-21(18)27-22/h1-2,4-5,7-10,12-14,23,26-27H,3,6,11H2/b9-7+,22-13-/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged p97 (unknown origin) by CD spectroscopy


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