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Compile Data Set for Download or QSAR

Found 4749 hits with Last Name = 'whitlock' and Initial = 'g'   
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
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614966
PNG
(US20230271939, Example 4)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)c3ncccc23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614995
PNG
(US20230271939, Example 33)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]nc(C)c3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
0.300n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614999
PNG
(US20230271939, Example 37)
Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1ccnc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615005
PNG
(US20230271939, Comp Ex 4 | WO2018030466, Example 5)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C#Cc2cnc3[nH]ccc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614985
PNG
(US20230271939, Example 23)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3cn[nH]c23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614965
PNG
(US20230271939, Compound Example 3 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614965
PNG
(US20230271939, Compound Example 3 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614973
PNG
(US20230271939, Example 11)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3c(N)nccn23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614994
PNG
(US20230271939, Example 32)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]c(=O)[nH]c3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614968
PNG
(US20230271939, Example 6)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3cccnc23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615000
PNG
(US20230271939, Example 38)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)c3nccnc23)c1F
PDB
MMDB

KEGG

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0.800n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614972
PNG
(US20230271939, Example 10)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1ncc(F)c(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614979
PNG
(US20230271939, Example 17)
Show SMILES OCc1cc(Cl)cc(c1Cl)S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614966
PNG
(US20230271939, Example 4)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)c3ncccc23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615001
PNG
(US20230271939, Comp Ex 1)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614965
PNG
(US20230271939, Compound Example 3 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614965
PNG
(US20230271939, Compound Example 3 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615002
PNG
(US20230271939, Comp Ex 2 | WO2018030466, Example 1...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614973
PNG
(US20230271939, Example 11)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3c(N)nccn23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614964
PNG
(US20230271939, Example 2)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)nc2)c1Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614995
PNG
(US20230271939, Example 33)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]nc(C)c3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
1.30n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614984
PNG
(US20230271939, Example 22)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3nn(C)cc23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614993
PNG
(US20230271939, Example 31)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnn3cccnc23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
1.5n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614963
PNG
(US20230271939, Compound Example 1 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614963
PNG
(US20230271939, Compound Example 1 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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1.60n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614969
PNG
(US20230271939, Example 7)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnn3c(N)ccnc23)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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1.60n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614978
PNG
(US20230271939, Example 16)
Show SMILES Nc1ncc(cn1)C#Cc1ccnc(NS(=O)(=O)c2cc(Cl)cc(CO)c2Cl)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614971
PNG
(US20230271939, Example 9)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3ccccc3n2)c1F
PDB
MMDB

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614987
PNG
(US20230271939, Example 25)
Show SMILES CNc1ncc(cn1)C#Cc1ccnc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615005
PNG
(US20230271939, Comp Ex 4 | WO2018030466, Example 5)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C#Cc2cnc3[nH]ccc3c2)c1F
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
1.80n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615001
PNG
(US20230271939, Comp Ex 1)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

KEGG

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PDB
US Patent
1.90n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319819
PNG
(1-(2-(3-fluoro-2-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1c(F)cccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-16(8-5-9-17(19)20)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
PDB

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Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614968
PNG
(US20230271939, Example 6)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3cccnc23)c1F
PDB
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2.10n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614963
PNG
(US20230271939, Compound Example 1 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)nc2)c1F
PDB
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2.30n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614963
PNG
(US20230271939, Compound Example 1 | US20230271939,...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

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2.30n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614983
PNG
(US20230271939, Example 21)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3[nH]ncc23)c1F
PDB
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2.40n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614992
PNG
(US20230271939, Example 30)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3ccnn3c2)c1F
PDB
MMDB

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2.40n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614971
PNG
(US20230271939, Example 9)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3ccccc3n2)c1F
PDB
MMDB

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2.40n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614967
PNG
(US20230271939, Example 5)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3nccnc23)c1F
PDB
MMDB

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614969
PNG
(US20230271939, Example 7)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnn3c(N)ccnc23)c1F
PDB
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2.5n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614986
PNG
(US20230271939, Example 24)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3cnn(C)c23)c1F
PDB
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2.60n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614964
PNG
(US20230271939, Example 2)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc(N)nc2)c1Cl
PDB
MMDB

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614990
PNG
(US20230271939, Example 28)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]c(=O)[nH]c3n2)c1F
PDB
MMDB

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614998
PNG
(US20230271939, Example 36)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3[nH]c(=O)n(C)c3c2)c1F
PDB
MMDB

KEGG

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614967
PNG
(US20230271939, Example 5)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cncc3nccnc23)c1F
PDB
MMDB

KEGG

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



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310652
PNG
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
PDB

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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310647
PNG
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1
PDB

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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
PDB

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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM614970
PNG
(US20230271939, Example 8)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3c(N)cccn23)c1F
PDB
MMDB

KEGG

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3.10n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2


(Homo sapiens (Human))
BDBM615002
PNG
(US20230271939, Comp Ex 2 | WO2018030466, Example 1...)
Show SMILES COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(C#Cc2cnc(N)nc2)c1F
PDB
MMDB

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3.20n/an/an/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent




US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2Q244CX
More data for this
Ligand-Target Pair
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