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PubMed code 26321079

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
X-box-binding protein 1


(Homo sapiens (Human))		BDBM50117872
PNG
(CHEMBL3614047)
Show SMILES CC(=O)CC1N2CCc3cc4OCOc4cc3C2=Cc2ccc3OCOc3c12 |c:20|
Show InChI InChI=1S/C22H19NO5/c1-12(24)6-17-21-14(2-3-18-22(21)28-11-25-18)7-16-15-9-20-19(26-10-27-20)8-13(15)4-5-23(16)17/h2-3,7-9,17H,4-6,10-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Transactivation of XBP1 (unknown origin) transfected in rat IEC-6 cells after 48 hrs by dual luciferase reporter gene assay

J Med Chem 58: 7557-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00964
BindingDB Entry DOI: 10.7270/Q28917PF
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))		BDBM50117871
PNG
(CHEMBL3331117)
Show SMILES C1Oc2cc3CCN4Cc5c6OCOc6ccc5C=C4c3cc2O1 |c:20|
Show InChI InChI=1S/C19H15NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-7H,3-4,8-10H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Transactivation of XBP1 (unknown origin) transfected in rat IEC-6 cells after 48 hrs by dual luciferase reporter gene assay

J Med Chem 58: 7557-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00964
BindingDB Entry DOI: 10.7270/Q28917PF
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))		BDBM50117873
PNG
(CHEMBL3614048)
Show SMILES [Cl-].CC(=O)C(=C)c1[n+]2CCc3cc4OCOc4cc3-c2c(C)c2ccc3OCOc3c12
Show InChI InChI=1S/C24H20NO5.ClH/c1-12(14(3)26)23-21-16(4-5-18-24(21)30-11-27-18)13(2)22-17-9-20-19(28-10-29-20)8-15(17)6-7-25(22)23;/h4-5,8-9H,1,6-7,10-11H2,2-3H3;1H/q+1;/p-1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 210n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Transactivation of XBP1 (unknown origin) transfected in rat IEC-6 cells after 48 hrs by dual luciferase reporter gene assay

J Med Chem 58: 7557-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00964
BindingDB Entry DOI: 10.7270/Q28917PF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%