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Patent code US9969686

Compile Data Set for Download or QSAR
Found 9 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


(Homo sapiens (Human))
BDBM50049064
PNG
(CHEMBL3319498 | US9969686, Compound 11a)
Show SMILES Clc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
Show InChI InChI=1S/C18H13ClN2O/c19-12-5-6-16-14(8-12)11(9-20-16)7-18-15(10-22)13-3-1-2-4-17(13)21-18/h1-6,8-10,20-21H,7H2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


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US Patent
n/an/an/an/a 93n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049058
PNG
(CHEMBL3319504 | US9969686, Compound 10c)
Show SMILES COc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N2O/c1-21-15-6-7-18-16(10-15)13(11-19-18)9-14-8-12-4-2-3-5-17(12)20-14/h2-8,10-11,19-20H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 94n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049057
PNG
(CHEMBL3319505 | US9969686, Compound 10d)
Show SMILES Cn1cc(Cc2cc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 86n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049060
PNG
(CHEMBL3319502 | US9969686, Compound 6')
Show SMILES C(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
n/an/an/an/a 215n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049061
PNG
(CHEMBL3319501 | US9969686, Compound 11d)
Show SMILES Cn1cc(Cc2[nH]c3ccccc3c2C=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-21-11-13(14-6-3-5-9-19(14)21)10-18-16(12-22)15-7-2-4-8-17(15)20-18/h2-9,11-12,20H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Patents


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US Patent
n/an/an/an/a 55n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049062
PNG
(CHEMBL3319500 | US9969686, Compound 11c)
Show SMILES COc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
Show InChI InChI=1S/C19H16N2O2/c1-23-13-6-7-17-15(9-13)12(10-20-17)8-19-16(11-22)14-4-2-3-5-18(14)21-19/h2-7,9-11,20-21H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 230n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049059
PNG
(CHEMBL3319503 | US9969686, Compound 10a)
Show SMILES Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
n/an/an/an/a>6.70E+3n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049063
PNG
(CHEMBL3319499 | US9969686, Compound 11b)
Show SMILES Clc1cccc2c(Cc3[nH]c4ccccc4c3C=O)c[nH]c12
Show InChI InChI=1S/C18H13ClN2O/c19-15-6-3-5-12-11(9-20-18(12)15)8-17-14(10-22)13-4-1-2-7-16(13)21-17/h1-7,9-10,20-21H,8H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 320n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50049065
PNG
(CHEMBL3319497 | US9969686, Compound 6)
Show SMILES O=Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-11-15-14-6-2-4-8-17(14)20-18(15)9-12-10-19-16-7-3-1-5-13(12)16/h1-8,10-11,19-20H,9H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 270n/an/an/an/a



Wisconsin Alumni Research Foundation

US Patent


Assay Description
AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.


US Patent US9969686 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%