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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'natani' and Initial = 's'   
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
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591500
PNG
(CHEMBL5195099)
Show SMILES N#Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1
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n/an/a 6.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591501
PNG
(CHEMBL5183418)
Show SMILES N#Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591496
PNG
(CHEMBL5204432)
Show SMILES Cc1ncsc1CCOc1ccc(cc1)-c1ccn[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591496
PNG
(CHEMBL5204432)
Show SMILES Cc1ncsc1CCOc1ccc(cc1)-c1ccn[nH]1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591519
PNG
(CHEMBL5174407)
Show SMILES CN(C)C(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591499
PNG
(CHEMBL5173608)
Show SMILES Fc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591520
PNG
(CHEMBL5169535)
Show SMILES CN(C)S(=O)(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591520
PNG
(CHEMBL5169535)
Show SMILES CN(C)S(=O)(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591505
PNG
(CHEMBL5199278)
Show SMILES CS(=O)(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591510
PNG
(CHEMBL5206230)
Show SMILES CC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591506
PNG
(CHEMBL5189943)
Show SMILES CS(=O)(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591497
PNG
(CHEMBL5192170)
Show SMILES Cc1ncsc1CCOc1ccc(nc1)-c1ccn[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591502
PNG
(CHEMBL5205521)
Show SMILES CS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591518
PNG
(CHEMBL5172100)
Show SMILES CNC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591498
PNG
(CHEMBL5180285)
Show SMILES Cc1ncsc1CCOc1cnc(nc1)-c1ccn[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591504
PNG
(CHEMBL5208981)
Show SMILES CS(=O)(=O)c1cc(O)cc(COc2ccc(nc2)-c2ccn[nH]2)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591508
PNG
(CHEMBL5192567)
Show SMILES CC(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591517
PNG
(CHEMBL5183091)
Show SMILES COC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591503
PNG
(CHEMBL5195431)
Show SMILES CS(=O)(=O)c1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591516
PNG
(CHEMBL5199197)
Show SMILES O=C(C1CC1)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591510
PNG
(CHEMBL5206230)
Show SMILES CC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591497
PNG
(CHEMBL5192170)
Show SMILES Cc1ncsc1CCOc1ccc(nc1)-c1ccn[nH]1
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591514
PNG
(CHEMBL5184859)
Show SMILES CC(=O)N[C@@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wU:7.7,4.3,(-8.55,-3.62,;-7.22,-2.85,;-7.22,-1.31,;-5.88,-3.62,;-4.55,-2.85,;-3.22,-3.62,;-1.89,-2.86,;-1.89,-1.32,;-.55,-.55,;.78,-1.32,;2.12,-.55,;3.45,-1.31,;4.78,-.54,;4.78,1,;3.45,1.77,;2.12,1,;6.11,1.77,;7.52,1.14,;8.55,2.29,;7.78,3.62,;6.27,3.3,;-3.22,-.54,;-4.55,-1.32,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591509
PNG
(CHEMBL5191778)
Show SMILES CC(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591504
PNG
(CHEMBL5208981)
Show SMILES CS(=O)(=O)c1cc(O)cc(COc2ccc(nc2)-c2ccn[nH]2)c1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591515
PNG
(CHEMBL5203135)
Show SMILES CC(=O)N[C@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wU:7.7,wD:4.3,(-8.55,-3.62,;-7.22,-2.85,;-7.22,-1.31,;-5.88,-3.62,;-4.55,-2.85,;-3.22,-3.62,;-1.89,-2.86,;-1.89,-1.32,;-.55,-.55,;.78,-1.32,;2.12,-.55,;3.45,-1.31,;4.78,-.54,;4.78,1,;3.45,1.77,;2.12,1,;6.11,1.77,;7.52,1.14,;8.55,2.29,;7.78,3.62,;6.27,3.3,;-3.22,-.54,;-4.55,-1.32,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591509
PNG
(CHEMBL5191778)
Show SMILES CC(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591498
PNG
(CHEMBL5180285)
Show SMILES Cc1ncsc1CCOc1cnc(nc1)-c1ccn[nH]1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591502
PNG
(CHEMBL5205521)
Show SMILES CS(=O)(=O)c1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591517
PNG
(CHEMBL5183091)
Show SMILES COC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591499
PNG
(CHEMBL5173608)
Show SMILES Fc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591501
PNG
(CHEMBL5183418)
Show SMILES N#Cc1cccc(COc2ccc(nc2)-c2ccn[nH]2)c1
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591514
PNG
(CHEMBL5184859)
Show SMILES CC(=O)N[C@@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wU:7.7,4.3,(-8.55,-3.62,;-7.22,-2.85,;-7.22,-1.31,;-5.88,-3.62,;-4.55,-2.85,;-3.22,-3.62,;-1.89,-2.86,;-1.89,-1.32,;-.55,-.55,;.78,-1.32,;2.12,-.55,;3.45,-1.31,;4.78,-.54,;4.78,1,;3.45,1.77,;2.12,1,;6.11,1.77,;7.52,1.14,;8.55,2.29,;7.78,3.62,;6.27,3.3,;-3.22,-.54,;-4.55,-1.32,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591495
PNG
(CHEMBL5181522)
Show SMILES CCOC(=O)N1CCN(CCOc2ccc(cc2)-c2ccn[nH]2)CC1
UniProtKB/SwissProt

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n/an/a 510n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591516
PNG
(CHEMBL5199197)
Show SMILES O=C(C1CC1)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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n/an/a 530n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591515
PNG
(CHEMBL5203135)
Show SMILES CC(=O)N[C@H]1CC[C@H](COc2ccc(nc2)-c2ccn[nH]2)CC1 |r,wU:7.7,wD:4.3,(-8.55,-3.62,;-7.22,-2.85,;-7.22,-1.31,;-5.88,-3.62,;-4.55,-2.85,;-3.22,-3.62,;-1.89,-2.86,;-1.89,-1.32,;-.55,-.55,;.78,-1.32,;2.12,-.55,;3.45,-1.31,;4.78,-.54,;4.78,1,;3.45,1.77,;2.12,1,;6.11,1.77,;7.52,1.14,;8.55,2.29,;7.78,3.62,;6.27,3.3,;-3.22,-.54,;-4.55,-1.32,)|
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n/an/a 610n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591507
PNG
(CHEMBL5195609)
Show SMILES CS(=O)(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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n/an/a 640n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591508
PNG
(CHEMBL5192567)
Show SMILES CC(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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n/an/a 640n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591519
PNG
(CHEMBL5174407)
Show SMILES CN(C)C(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
MMDB

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n/an/a 640n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591505
PNG
(CHEMBL5199278)
Show SMILES CS(=O)(=O)N1CCC[C@@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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n/an/a 710n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4F2


(Homo sapiens (Human))
BDBM50591506
PNG
(CHEMBL5189943)
Show SMILES CS(=O)(=O)N1CCC[C@H](COc2ccc(nc2)-c2ccn[nH]2)C1 |r|
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n/an/a 730n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591507
PNG
(CHEMBL5195609)
Show SMILES CS(=O)(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
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n/an/a 860n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591518
PNG
(CHEMBL5172100)
Show SMILES CNC(=O)N1CCC(COc2ccc(nc2)-c2ccn[nH]2)CC1
MMDB

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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Cytochrome P450 4A11


(Homo sapiens)
BDBM50591500
PNG
(CHEMBL5195099)
Show SMILES N#Cc1ccc(COc2ccc(nc2)-c2ccn[nH]2)cc1
MMDB

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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01089
BindingDB Entry DOI: 10.7270/Q2MK6HW6
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569120
PNG
(CHEMBL4861582)
Show SMILES COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
PDB

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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569128
PNG
(CHEMBL4853249)
Show SMILES COC(=O)Cc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
PDB

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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569133
PNG
(CHEMBL4875229)
Show SMILES CCOc1cc(\C=C(/CC(O)=O)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1
PDB

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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569134
PNG
(CHEMBL4863408)
Show SMILES Cc1nn(C2CCS(=O)(=O)C2)c(C)c1\C=C(/CC(O)=O)c1nc2ccccc2[nH]1
PDB

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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569131
PNG
(CHEMBL4852940)
Show SMILES OC(=O)C\C(=C/c1cc2OCOc2c(Br)c1)c1nc2ccccc2s1
PDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569129
PNG
(CHEMBL4851336)
Show SMILES OC(=O)C\C(=C/c1ccc2ccccc2c1)c1nc2ccccc2s1
PDB

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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
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