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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50014388   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50020876
PNG
(6-Butyl-4,10-dioxo-1,4,7,10-tetrahydro-[1,7]phenan...)
Show SMILES CCCCc1cc2c(O)cc(nc2c2c(O)cc(nc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 13n/an/an/an/a


TBA

Assay Description
Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01624
BindingDB Entry DOI: 10.7270/Q2T72N8P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM38549
PNG
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 500n/an/an/an/a


TBA

Assay Description
Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01624
BindingDB Entry DOI: 10.7270/Q2T72N8P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50575554
PNG
(CHEMBL3558475)
Show SMILES OC(CCc1cccc2oc(cc(=O)c12)C(O)=O)CCc1cccc2oc(cc(=O)c12)C(O)=O
PDB

KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01624
BindingDB Entry DOI: 10.7270/Q2T72N8P
More data for this
Ligand-Target Pair