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Compile Data Set for Download or QSAR

Found 726 hits with Last Name = 'kramer' 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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0.000800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity towards Wild-type kappa opioid receptor expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding constant against E203Q,D204N,D206N EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding constant against wild type EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding constant against E203Q,D204N,D206N,E209Q EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50116538
PNG
(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...)
Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O
Show InChI InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)
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3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding constant against D216N,D217N,E218Q EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064015
PNG
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)
Show SMILES CCCC1CCCCC(N)=N1 |c:9|
Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
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90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50197085
PNG
(CHEMBL3921982)
Show SMILES CN(C)CCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50502344
PNG
(Talinolol)
Show SMILES CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
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240n/an/an/an/an/an/an/an/a



Goethe-University of Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to beta1 adrenergic receptor (unknown origin) by radioligand binding assay


ACS Med Chem Lett 10: 899-903 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00075
BindingDB Entry DOI: 10.7270/Q2R214M7
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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320n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50197084
PNG
(CHEMBL3883608)
Show SMILES Nc1nc(cs1)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
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360n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50502344
PNG
(Talinolol)
Show SMILES CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
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900n/an/an/an/an/an/an/an/a



Goethe-University of Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to beta2 adrenergic receptor (unknown origin) by radioligand binding assay


ACS Med Chem Lett 10: 899-903 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00075
BindingDB Entry DOI: 10.7270/Q2R214M7
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575781
PNG
(CHEMBL4851364)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CCC(C)C)c4)c(=O)oc3c2C)OC1(C)C |r|
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3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...


Bioorg Med Chem 24: 5243-5248 (2016)


Article DOI: 10.1016/j.bmc.2016.08.047
BindingDB Entry DOI: 10.7270/Q2959KH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575831
PNG
(CHEMBL4852281)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2oc1=O
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4.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50530480
PNG
(CHEMBL4445524)
Show SMILES OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H15Cl2NO3/c20-14-10-9-13(11-15(14)21)18-19(12-5-2-1-3-6-12)25-16(22-18)7-4-8-17(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,23,24)
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4.80E+3n/an/an/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of full length human soluble epoxide hydrolase pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence base...


J Med Chem 62: 8443-8460 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00445
BindingDB Entry DOI: 10.7270/Q2V98CJ7
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50530480
PNG
(CHEMBL4445524)
Show SMILES OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H15Cl2NO3/c20-14-10-9-13(11-15(14)21)18-19(12-5-2-1-3-6-12)25-16(22-18)7-4-8-17(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,23,24)
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4.80E+3n/an/an/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Competitive inhibition of full length human soluble epoxide hydrolase pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence base...


J Med Chem 62: 8443-8460 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00445
BindingDB Entry DOI: 10.7270/Q2V98CJ7
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575831
PNG
(CHEMBL4852281)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2oc1=O
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6.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575821
PNG
(CHEMBL4861964)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(cc2oc1=O)-c1cccc(c1)C(O)=O
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7.20E+3n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575825
PNG
(CHEMBL4878621)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)CCc3ccccc3)cc2oc1=O
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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575825
PNG
(CHEMBL4878621)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)CCc3ccccc3)cc2oc1=O
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7.50E+3n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575781
PNG
(CHEMBL4851364)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CCC(C)C)c4)c(=O)oc3c2C)OC1(C)C |r|
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8.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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8.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575818
PNG
(CHEMBL4878719)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(cc2oc1=O)-c1cccc2ccccc12
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8.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575829
PNG
(CHEMBL4856665)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2oc1=O
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1.00E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575830
PNG
(CHEMBL4854132)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2oc1=O
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1.09E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575788
PNG
(CHEMBL4856823)
Show SMILES CCCCCc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
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1.20E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575787
PNG
(CHEMBL4865071)
Show SMILES CCCCc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
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1.20E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575829
PNG
(CHEMBL4856665)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2oc1=O
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1.23E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575796
PNG
(CHEMBL4860932)
Show SMILES Oc1ccc2c(O)c(NC(=O)c3cccc(SCC4CC4)c3)c(=O)oc2c1
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1.30E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575789
PNG
(CHEMBL4875925)
Show SMILES Oc1ccc2c(O)c(NC(=O)c3cccc(CCC4CC4)c3)c(=O)oc2c1
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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575813
PNG
(CHEMBL4869659)
Show SMILES COc1ccc(cc1CCC(C)C)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
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1.32E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575785
PNG
(CHEMBL4851932)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
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1.33E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575826
PNG
(CHEMBL4859492)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2oc1=O
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1.34E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575828
PNG
(CHEMBL4875883)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3ccccc3)cc2oc1=O
PDB
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1.38E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575787
PNG
(CHEMBL4865071)
Show SMILES CCCCc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
PDB
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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575788
PNG
(CHEMBL4856823)
Show SMILES CCCCCc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
PDB
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1.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575821
PNG
(CHEMBL4861964)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(cc2oc1=O)-c1cccc(c1)C(O)=O
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1.48E+4n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575826
PNG
(CHEMBL4859492)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2oc1=O
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1.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575830
PNG
(CHEMBL4854132)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3ccccc3C)cc2oc1=O
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1.56E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575785
PNG
(CHEMBL4851932)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
PDB
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1.57E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575813
PNG
(CHEMBL4869659)
Show SMILES COc1ccc(cc1CCC(C)C)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
PDB
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1.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575820
PNG
(CHEMBL4873678)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(cc2oc1=O)-c1ccc(cc1)C(O)=O
PDB
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1.67E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575796
PNG
(CHEMBL4860932)
Show SMILES Oc1ccc2c(O)c(NC(=O)c3cccc(SCC4CC4)c3)c(=O)oc2c1
PDB
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1.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575789
PNG
(CHEMBL4875925)
Show SMILES Oc1ccc2c(O)c(NC(=O)c3cccc(CCC4CC4)c3)c(=O)oc2c1
PDB
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1.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575828
PNG
(CHEMBL4875883)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(NS(=O)(=O)c3ccccc3)cc2oc1=O
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1.76E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575809
PNG
(CHEMBL4847717)
Show SMILES Oc1ccc2c(O)c(NC(=O)c3cccc(OCC=C)c3)c(=O)oc2c1
PDB
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1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575795
PNG
(CHEMBL4876524)
Show SMILES CCCCSc1cccc(c1)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
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1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3A


(Homo sapiens)
BDBM50575820
PNG
(CHEMBL4873678)
Show SMILES CC(C)CCc1cccc(c1)C(=O)Nc1c(O)c2ccc(cc2oc1=O)-c1ccc(cc1)C(O)=O
PDB

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1.89E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
Microtubule-associated proteins 1A/1B light chain 3B


(Human)
BDBM50575812
PNG
(CHEMBL4853160)
Show SMILES CC(C)CCc1cc(ccc1F)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
PDB
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1.93E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01564
BindingDB Entry DOI: 10.7270/Q2NK3JVB
More data for this
Ligand-Target Pair
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