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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'maier' and Initial = 'v'   
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


(Mus musculus (Mouse))
BDBM50506039
PNG
(CHEMBL1324296 | US11891386, Compound 002)
Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
88n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50605061
PNG
(CHEMBL5179114)
Show SMILES COc1ccc(Cn2cc(C(=O)c3nccs3)c3ccccc23)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50506039
PNG
(CHEMBL1324296 | US11891386, Compound 002)
Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50605062
PNG
(CHEMBL5185943)
Show SMILES OCc1csc(n1)C(O)c1c[nH]c2ccccc12
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50605061
PNG
(CHEMBL5179114)
Show SMILES COc1ccc(Cn2cc(C(=O)c3nccs3)c3ccccc23)cc1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 110n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair