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PubMed code 26457560

Compile data set for download or QSAR
Found 5 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


(Rattus norvegicus)		BDBM50131220
PNG
(CHEMBL3634660)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@H](O)CC\C(C=O)=C\CC[C@@]1(C)O2)C(C)C |r,t:16|
Show InChI InChI=1S/C20H32O4/c1-14(2)20-11-10-18(3,24-20)16(22)8-7-15(13-21)6-5-9-19(4)17(12-20)23-19/h6,13-14,16-17,22H,5,7-12H2,1-4H3/b15-6-/t16-,17-,18-,19-,20+/m1/s1
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n/an/an/an/a 1.14E+3n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


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

J Nat Prod 78: 2322-31 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00104
BindingDB Entry DOI: 10.7270/Q2ZK5JGZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Rattus norvegicus)		BDBM50131222
PNG
(CHEMBL3634662)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@H](O)CC(=O)\C(C)=C\CC[C@@]1(C)O2)C(C)C |r,t:16|
Show InChI InChI=1S/C20H32O4/c1-13(2)20-10-9-18(4,24-20)16(22)11-15(21)14(3)7-6-8-19(5)17(12-20)23-19/h7,13,16-17,22H,6,8-12H2,1-5H3/b14-7+/t16-,17-,18-,19-,20+/m1/s1
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n/an/an/an/a 420n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


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

J Nat Prod 78: 2322-31 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00104
BindingDB Entry DOI: 10.7270/Q2ZK5JGZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Rattus norvegicus)		BDBM50131219
PNG
(CHEMBL3634656)
Show SMILES [H][C@]12CC[C@](C)(O1)[C@H](O)C[C@@]1(CC[C@@](C)(O1)[C@H](O)C\C=C2\C)C(C)C |r,c:21|
Show InChI InChI=1S/C20H34O4/c1-13(2)20-11-10-19(5,24-20)16(21)7-6-14(3)15-8-9-18(4,23-15)17(22)12-20/h6,13,15-17,21-22H,7-12H2,1-5H3/b14-6-/t15-,16-,17-,18+,19-,20+/m1/s1
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n/an/an/an/a 340n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


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

J Nat Prod 78: 2322-31 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00104
BindingDB Entry DOI: 10.7270/Q2ZK5JGZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Rattus norvegicus)		BDBM50131223
PNG
(CHEMBL3612189)
Show SMILES O=c1n2CCc3cc4OCOc4cc3-c2cc2ccc3OCOc3c12
Show InChI InChI=1S/C19H13NO5/c21-19-17-11(1-2-14-18(17)25-9-22-14)5-13-12-7-16-15(23-8-24-16)6-10(12)3-4-20(13)19/h1-2,5-7H,3-4,8-9H2
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n/an/an/an/a 80n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


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

J Nat Prod 78: 2322-31 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00104
BindingDB Entry DOI: 10.7270/Q2ZK5JGZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Rattus norvegicus)		BDBM50131221
PNG
(CHEMBL3634661)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@H](O)CC(=O)\C(C)=C\[C@@H](O)C[C@@]1(C)O2)C(C)C |r,t:16|
Show InChI InChI=1S/C20H32O5/c1-12(2)20-7-6-18(4,25-20)16(23)9-15(22)13(3)8-14(21)10-19(5)17(11-20)24-19/h8,12,14,16-17,21,23H,6-7,9-11H2,1-5H3/b13-8+/t14-,16-,17-,18-,19-,20+/m1/s1
PDB

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n/an/an/an/a 880n/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


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

J Nat Prod 78: 2322-31 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00104
BindingDB Entry DOI: 10.7270/Q2ZK5JGZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%