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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'batey' and Initial = 'ra'   
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
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589806
PNG
(CHEMBL5177469)
Show SMILES O=C(CNCc1cc2ccccc2[nH]1)N[C@H]1CC[C@H](CC1)c1nc2ccccc2[nH]1 |r,wU:15.16,18.23,(-1.11,.83,;-1.88,2.16,;-3.42,2.16,;-4.19,.83,;-5.73,.83,;-6.5,-.51,;-6.03,-1.97,;-7.27,-2.88,;-7.43,-4.4,;-8.84,-5.03,;-10.08,-4.13,;-9.93,-2.6,;-8.52,-1.97,;-8.04,-.51,;-1.11,3.49,;.43,3.49,;1.2,4.83,;2.74,4.83,;3.51,3.49,;2.74,2.16,;1.2,2.16,;5.05,3.49,;5.95,2.25,;7.42,2.72,;8.76,1.95,;10.08,2.73,;10.08,4.26,;8.75,5.03,;7.42,4.26,;5.95,4.74,)|
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n/an/a 4.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589802
PNG
(CHEMBL5177515)
Show SMILES CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)NC |r|
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n/an/a 4.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589804
PNG
(CHEMBL5191076)
Show SMILES CNC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](C\C=C\c1ccccc1)NC(=O)CNCc1ccccc1 |r|
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n/an/a 4.80E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589801
PNG
(CHEMBL5208789)
Show SMILES CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)CNCc1ccc(OC)cc1OC)c1cccs1 |r|
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589797
PNG
(CHEMBL5189044)
Show SMILES Nc1cccc2C(NCCc12)c1ccccc1
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n/an/a 1.89E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589800
PNG
(CHEMBL5197897)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 2.14E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589799
PNG
(CHEMBL5175764)
Show SMILES COc1cccc(c1)C1CCCc2ccccc12
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n/an/a 3.55E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589791
PNG
(CHEMBL5179578)
Show SMILES Clc1cccc(c1)C1NCCc2sccc12
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n/an/a 4.93E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589790
PNG
(CHEMBL5194502)
Show SMILES Cc1ccc(cc1)C1NCCc2sccc12
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n/an/a 5.50E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589796
PNG
(CHEMBL5193368)
Show SMILES Brc1cccc2C(NCCc12)c1ccccc1
PDB
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n/an/a 6.48E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50017043
PNG
(1-(4-Methoxy-phenyl)-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES COc1ccc(cc1)C1NCCc2ccccc12
Show InChI InChI=1S/C16H17NO/c1-18-14-8-6-13(7-9-14)16-15-5-3-2-4-12(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3
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n/an/a 8.98E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589787
PNG
(CHEMBL5179037)
Show SMILES C1Cc2occc2C(N1)c1ccccc1
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n/an/a 9.08E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589788
PNG
(CHEMBL5188512)
Show SMILES C1Cc2[nH]ccc2C(N1)c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589785
PNG
(CHEMBL1600521)
Show SMILES CC1CN=C(Nc2ccccc2)S1 |t:3|
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n/an/a 1.13E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589784
PNG
(CHEMBL5186109)
Show SMILES CC1CN=C(Nc2cccc(O)c2)S1 |t:3|
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n/an/a 1.49E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589795
PNG
(CHEMBL5195783)
Show SMILES Fc1ccccc1C1NCCc2sccc12
PDB
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n/an/a 1.49E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589805
PNG
(CHEMBL5191415)
Show SMILES CNC(=O)C1N(Cc2ccccc12)C(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)CNCCOc1ccc(C)cc1 |r|
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n/an/a 1.88E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589803
PNG
(CHEMBL5208155)
Show SMILES CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H]1NC[C@@H]1c1ccccc1)c1ccsc1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589793
PNG
(CHEMBL5198959)
Show SMILES Nc1cccc(c1)C1NCCc2sccc12
PDB
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n/an/a 2.35E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589798
PNG
(CHEMBL5181147)
Show SMILES COc1ccc2C(CCCc2c1)c1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589794
PNG
(CHEMBL5203207)
Show SMILES COc1cccc(c1)C1NCCc2sccc12
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589789
PNG
(CHEMBL5192951)
Show SMILES Nc1ccc(cc1)C1NCCc2sccc12
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589786
PNG
(CHEMBL2179396)
Show SMILES C1Cc2sccc2C(N1)c1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589792
PNG
(CHEMBL5205965)
Show SMILES Oc1cccc(c1)C1NCCc2sccc12
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589783
PNG
(CHEMBL1998455)
Show SMILES CC1CN=C(Nc2cccc(F)c2)S1 |t:3|
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n/an/a 2.64E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589784
PNG
(CHEMBL5186109)
Show SMILES CC1CN=C(Nc2cccc(O)c2)S1 |t:3|
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n/an/an/a 1.10E+5n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589797
PNG
(CHEMBL5189044)
Show SMILES Nc1cccc2C(NCCc12)c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589782
PNG
(CHEMBL5195622)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(O)=O |r|
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n/an/an/a 1.90E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
Glucose-induced degradation protein 4 homolog


(Homo sapiens)
BDBM50589806
PNG
(CHEMBL5177469)
Show SMILES O=C(CNCc1cc2ccccc2[nH]1)N[C@H]1CC[C@H](CC1)c1nc2ccccc2[nH]1 |r,wU:15.16,18.23,(-1.11,.83,;-1.88,2.16,;-3.42,2.16,;-4.19,.83,;-5.73,.83,;-6.5,-.51,;-6.03,-1.97,;-7.27,-2.88,;-7.43,-4.4,;-8.84,-5.03,;-10.08,-4.13,;-9.93,-2.6,;-8.52,-1.97,;-8.04,-.51,;-1.11,3.49,;.43,3.49,;1.2,4.83,;2.74,4.83,;3.51,3.49,;2.74,2.16,;1.2,2.16,;5.05,3.49,;5.95,2.25,;7.42,2.72,;8.76,1.95,;10.08,2.73,;10.08,4.26,;8.75,5.03,;7.42,4.26,;5.95,4.74,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00509
BindingDB Entry DOI: 10.7270/Q2JD51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50028480
PNG
(CHEMBL3342324)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](COC(=O)[C@]1([H])C[C@@H](C)CN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C |r|
Show InChI InChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)/b7-6+,9-8+,18-13+/t24-,25+,26+,28+,29+,30+,31+/m1/s1
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n/an/an/a 300n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activation of Escherichia coli ClpP by ITC method


J Nat Prod 77: 2170-81 (2014)


Article DOI: 10.1021/np500158q
BindingDB Entry DOI: 10.7270/Q22R3T71
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50028481
PNG
(CHEMBL3342325)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@]1([H])CCCN1C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C |r|
Show InChI InChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/b6-5+,8-7+,19-12+/t24-,25-,27-,28-,29-,30-/m0/s1
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Article
PubMed
n/an/an/a 700n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activation of Escherichia coli ClpP by ITC method


J Nat Prod 77: 2170-81 (2014)


Article DOI: 10.1021/np500158q
BindingDB Entry DOI: 10.7270/Q22R3T71
More data for this
Ligand-Target Pair