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PubMed code 31358358

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
Aryl hydrocarbon receptor


(Danio rerio)
BDBM50525571
PNG
(CHEMBL4467659)
Show SMILES CCOc1ccccc1C(=O)CC(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C20H22O4/c1-4-23-20-8-6-5-7-17(20)19(22)13-18(21)15-9-11-16(12-10-15)24-14(2)3/h5-12,14H,4,13H2,1-3H3
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.030
BindingDB Entry DOI: 10.7270/Q25B05WB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Danio rerio)
BDBM50525574
PNG
(CHEMBL4546269)
Show SMILES COc1ccccc1C(=O)\C=C\c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C19H20O3/c1-14(2)22-16-11-8-15(9-12-16)10-13-18(20)17-6-4-5-7-19(17)21-3/h4-14H,1-3H3/b13-10+
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.030
BindingDB Entry DOI: 10.7270/Q25B05WB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Danio rerio)
BDBM50525570
PNG
(CHEMBL4463944)
Show SMILES COc1ccccc1C(=O)CC(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C19H20O4/c1-13(2)23-15-10-8-14(9-11-15)17(20)12-18(21)16-6-4-5-7-19(16)22-3/h4-11,13H,12H2,1-3H3
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.030
BindingDB Entry DOI: 10.7270/Q25B05WB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Danio rerio)
BDBM50525573
PNG
(CHEMBL4470684)
Show SMILES COc1ccccc1C(=O)CC(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H13F3O4/c1-23-16-5-3-2-4-13(16)15(22)10-14(21)11-6-8-12(9-7-11)24-17(18,19)20/h2-9H,10H2,1H3
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.030
BindingDB Entry DOI: 10.7270/Q25B05WB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Danio rerio)
BDBM50525572
PNG
(CH-223191 | CHEMBL1743245)
Show SMILES Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1
Show InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)/b23-22+
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.030
BindingDB Entry DOI: 10.7270/Q25B05WB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%