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Patent code US10167293

Compile Data Set for Download or QSAR
Found 76 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
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313879
PNG
(US10167293, Example 70)
Show SMILES Fc1ccc(Cl)c(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313838
PNG
(US10167293, Example 31)
Show SMILES Brc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313874
PNG
(US10167293, Example 65)
Show SMILES Cc1ccc(Br)cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313878
PNG
(US10167293, Example 69)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1cccc2CCOc12)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313837
PNG
(US10167293, Example 30)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313884
PNG
(US10167293, Example 75 | sodium 5-({8-[(3,5-difluo...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[n-]1
Show InChI InChI=1S/C15H15F2N5O3S/c16-9-3-10(17)5-13(4-9)26(24,25)22-11-1-2-12(22)8-21(7-11)15(23)14-6-18-20-19-14/h3-6,11-12H,1-2,7-8H2,(H,18,19,20,23)/p-1
PDB
MMDB

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US Patent
n/an/a 0.700n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313839
PNG
(US10167293, Example 32)
Show SMILES Brc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 0.700n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313861
PNG
(US10167293, Example 53)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
n/an/a 0.800n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313880
PNG
(US10167293, Example 71)
Show SMILES Fc1cccc(c1Cl)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313859
PNG
(US10167293, Example 51)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313858
PNG
(US10167293, Example 50)
Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313816
PNG
(US10167293, Example 9)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1c[nH]nn1
PDB
MMDB

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313854
PNG
(US10167293, Example 46)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313836
PNG
(US10167293, Example 29)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313834
PNG
(US10167293, Example 27)
Show SMILES Fc1c(Cl)cccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313875
PNG
(US10167293, Example 66)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1ccc2OCOc2c1)c1cnn[nH]1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 0.900n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313825
PNG
(US10167293, Example 18)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313827
PNG
(US10167293, Example 20)
Show SMILES COc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313876
PNG
(US10167293, Example 67)
Show SMILES COc1cc(C)ccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313809
PNG
(1H-1,2,3-triazol-4-yl[8-{[2-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1c[nH]nn1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313826
PNG
(US10167293, Example 19)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313856
PNG
(US10167293, Example 48)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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US Patent
n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313833
PNG
(US10167293, Example 26)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313885
PNG
(US10167293, Example 76 | sodium 5-({8-[(3-fluoroph...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[n-]1
Show InChI InChI=1S/C15H16FN5O3S/c16-10-2-1-3-13(6-10)25(23,24)21-11-4-5-12(21)9-20(8-11)15(22)14-7-17-19-18-14/h1-3,6-7,11-12H,4-5,8-9H2,(H,17,18,19,22)/p-1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313850
PNG
(US10167293, Example 42)
Show SMILES FC(F)(F)Oc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

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n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313881
PNG
(US10167293, Example 72)
Show SMILES COc1cc(F)ccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313818
PNG
(US10167293, Example 11)
Show SMILES Clc1ccc(s1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1c[nH]nn1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313819
PNG
(US10167293, Example 12)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1c[nH]nn1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313812
PNG
(US10167293, Example 5)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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US Patent
n/an/a 1.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313857
PNG
(US10167293, Example 49)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313835
PNG
(US10167293, Example 28)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313866
PNG
(US10167293, Example 58)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1ccc2nsnc2c1)c1cnn[nH]1
PDB
MMDB

KEGG

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313862
PNG
(US10167293, Example 54)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1cccc2NSNc12)c1cnn[nH]1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313811
PNG
(US10167293, Example 4 | {8-[(3-fluorophenyl)sulfon...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313877
PNG
(US10167293, Example 68)
Show SMILES Clc1cccc(c1C#N)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 1.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313815
PNG
(US10167293, Example 8)
Show SMILES FS(F)(F)(F)(F)c1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1c[nH]nn1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313847
PNG
(US10167293, Example 39)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1cccc2ccccc12)c1cnn[nH]1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313873
PNG
(US10167293, Example 64)
Show SMILES COc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313810
PNG
(US10167293, Example 3 | {8-[(3,5-difluorophenyl)su...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 1.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313864
PNG
(US10167293, Example 56)
Show SMILES Clc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

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n/an/a 1.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313853
PNG
(US10167293, Example 45)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313820
PNG
(US10167293, Example 13)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 1.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313814
PNG
(US10167293, Example 7)
Show SMILES Clc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 1.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313870
PNG
(US10167293, Example 61)
Show SMILES Fc1ccc(Cl)cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 1.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313829
PNG
(US10167293, Example 22)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313822
PNG
(US10167293, Example 15)
Show SMILES Fc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313846
PNG
(US10167293, Example 38)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313872
PNG
(US10167293, Example 63)
Show SMILES Cc1ccc(Cl)cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313813
PNG
(US10167293, Example 6)
Show SMILES Cc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313840
PNG
(US10167293, Example 33)
Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313831
PNG
(US10167293, Example 24)
Show SMILES Fc1cccc(F)c1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313821
PNG
(US10167293, Example 14)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313852
PNG
(US10167293, Example 44)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

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n/an/a 1.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313841
PNG
(US10167293, Example 34)
Show SMILES FC(F)(F)c1ccc(Cl)cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313828
PNG
(US10167293, Example 21)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313823
PNG
(US10167293, Example 16)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313830
PNG
(US10167293, Example 23)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313867
PNG
(US10167293, Example 59)
Show SMILES Fc1ccc(c(F)c1F)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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n/an/a 2.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313860
PNG
(US10167293, Example 52)
Show SMILES COc1cccc(OC)c1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313832
PNG
(US10167293, Example 25)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.60n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313863
PNG
(US10167293, Example 55)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1cccc2NONc12)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313845
PNG
(US10167293, Example 37)
Show SMILES Oc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313871
PNG
(US10167293, Example 62)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313824
PNG
(US10167293, Example 17)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1cccc(c1)C#N)c1cnn[nH]1
PDB
MMDB

KEGG

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n/an/a 2.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313843
PNG
(US10167293, Example 36)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

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n/an/a 3.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313848
PNG
(US10167293, Example 40)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1cccc2cccnc12)c1cnn[nH]1
PDB
MMDB

KEGG

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n/an/a 3.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313808
PNG
(US10167293, Example 1 | [8-(phenylsulfonyl)-3,8-di...)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1ccccc1)c1c[nH]nn1
PDB
MMDB

KEGG

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n/an/a 3.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313883
PNG
(US10167293, Example 74)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 5.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313842
PNG
(US10167293, Example 35)
Show SMILES O=C(N1CC2CCC(C1)N2S(=O)(=O)c1ccccc1C#N)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313849
PNG
(US10167293, Example 41)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 6.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313817
PNG
(US10167293, Example 10)
Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1c[nH]nn1)C(F)(F)F
PDB
MMDB

KEGG

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n/an/a 7.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313851
PNG
(US10167293, Example 43)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 9.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313865
PNG
(US10167293, Example 57)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 9.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313882
PNG
(US10167293, Example 73)
Show SMILES COc1ccc(cc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 28n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313869
PNG
(US10167293, Example 60)
Show SMILES FC1=CC=C(C[C]1#N)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 28.4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

More data for this
Ligand-Target Pair
Aldo-keto-reductase family 1 member C3


(Homo sapiens (human))
BDBM313855
PNG
(US10167293, Example 47)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 29.8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...


US Patent US10167293 (2019)

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