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Compile Data Set for Download or QSAR

Found 4388 hits with Last Name = 'burns' and Initial = 'dm'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595147
PNG
(CHEMBL5205840)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595148
PNG
(CHEMBL5202600)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1cnccc21 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595161
PNG
(CHEMBL5172072)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595158
PNG
(CHEMBL5203601)
Show SMILES O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(cc1)-c1cccnc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11868
PNG
(CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1
Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)
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n/an/a<1.5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM11868
PNG
(CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1
Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)
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n/an/a<1.5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11868
PNG
(CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1
Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)
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n/an/a<1.5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589332
PNG
(CHEMBL5208100)
Show SMILES CC(C1CCCCC1)N1C[C@H](O)C[C@]11CCN(C2CCCCC2)C1=O |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589325
PNG
(CHEMBL5186299)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(CN2C[C@@H](F)C[C@]22CCN(C3CCCCC3)C2=O)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589324
PNG
(CHEMBL5182702)
Show SMILES F[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595152
PNG
(CHEMBL5187458)
Show SMILES O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(nc1)-c1ccccc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595147
PNG
(CHEMBL5205840)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595159
PNG
(CHEMBL5175978)
Show SMILES CNC(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595157
PNG
(CHEMBL5188613)
Show SMILES O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(cc1)-c1ccccn1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589323
PNG
(CHEMBL5189335)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595161
PNG
(CHEMBL5172072)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595159
PNG
(CHEMBL5175978)
Show SMILES CNC(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589333
PNG
(CHEMBL5183283)
Show SMILES CC(C1CCC1)N1C[C@H](O)C[C@]11CCN(C2CCCCC2)C1=O |r|
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n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50229639
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCC(=CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1 |c:12|
Show InChI InChI=1S/C23H31N3O7S/c27-21(24-29)23(9-13-25(14-10-23)22(28)33-20-8-15-32-16-20)17-34(30,31)26-11-6-19(7-12-26)18-4-2-1-3-5-18/h1-6,20,29H,7-17H2,(H,24,27)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595144
PNG
(CHEMBL5183831)
Show SMILES Cc1cccc(C)c1C1CCN(C1)C(=O)C1(CC1)c1ccc(Cl)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595156
PNG
(CHEMBL5187680)
Show SMILES O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(cc1)-c1ccncc1 |r|
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n/an/a 4.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595162
PNG
(CHEMBL5187093)
Show SMILES CN(C)C(=O)c1ccc(cn1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589345
PNG
(CHEMBL5194627)
Show SMILES CC(C)NC(=O)c1ccc(cn1)-c1ccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)cc1F |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595160
PNG
(CHEMBL5194632)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595160
PNG
(CHEMBL5194632)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595158
PNG
(CHEMBL5203601)
Show SMILES O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(cc1)-c1cccnc1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589345
PNG
(CHEMBL5194627)
Show SMILES CC(C)NC(=O)c1ccc(cn1)-c1ccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)cc1F |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589332
PNG
(CHEMBL5208100)
Show SMILES CC(C1CCCCC1)N1C[C@H](O)C[C@]11CCN(C2CCCCC2)C1=O |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50228003
PNG
((6S,7S)-6-[4-(4-cyano-3-methyl-phenyl)-piperazine-...)
Show SMILES Cc1cc(ccc1C#N)N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H27N5O3/c1-14-10-16(3-2-15(14)12-22)25-6-8-26(9-7-25)20(28)18-17(19(27)24-29)11-21(4-5-21)13-23-18/h2-3,10,17-18,23,29H,4-9,11,13H2,1H3,(H,24,27)/t17-,18-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589324
PNG
(CHEMBL5182702)
Show SMILES F[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589350
PNG
(CHEMBL5192382)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)OC(=O)c1ccccc21
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589350
PNG
(CHEMBL5192382)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)OC(=O)c1ccccc21
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589325
PNG
(CHEMBL5186299)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(CN2C[C@@H](F)C[C@]22CCN(C3CCCCC3)C2=O)cc1 |r|
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n/an/a 5.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589321
PNG
(CHEMBL5172036)
Show SMILES O[C@H]1CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595141
PNG
(CHEMBL5201898)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CC[C@H](C1)c1ccccc1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50229655
PNG
(CHEMBL442432 | trans-2-hydroxycyclopentyl 4-(hydro...)
Show SMILES Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCCC1O)C(=O)NO |w:26.28,30.34|
Show InChI InChI=1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)
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n/an/a 6.20n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589321
PNG
(CHEMBL5172036)
Show SMILES O[C@H]1CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50229651
PNG
((S)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylp...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC[C@@H]1CCCN1)C(=O)NO)C#N
Show InChI InChI=1S/C26H37N5O6S/c1-19-15-20(16-27)4-5-23(19)21-6-11-31(12-7-21)38(35,36)18-26(24(32)29-34)8-13-30(14-9-26)25(33)37-17-22-3-2-10-28-22/h4-5,15,21-22,28,34H,2-3,6-14,17-18H2,1H3,(H,29,32)/t22-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589339
PNG
(CHEMBL5209448)
Show SMILES O[C@H]1CN(Cc2ccc(cc2)-c2ccncc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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n/an/a 6.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589339
PNG
(CHEMBL5209448)
Show SMILES O[C@H]1CN(Cc2ccc(cc2)-c2ccncc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589333
PNG
(CHEMBL5183283)
Show SMILES CC(C1CCC1)N1C[C@H](O)C[C@]11CCN(C2CCCCC2)C1=O |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589320
PNG
(CHEMBL5178986)
Show SMILES O[C@H]1CN(Cc2ccc(Cl)cc2)C2(CCN(C3CCCCC3)C2=O)C1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589311
PNG
(CHEMBL5194187)
Show SMILES FC(F)(F)c1ccc(CN2CCCC22CCN(C3CCCCC3)C2=O)cc1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50595136
PNG
(CHEMBL5177277)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1ccncc1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128782
BindingDB Entry DOI: 10.7270/Q2FF3XBX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589315
PNG
(CHEMBL5201231)
Show SMILES Clc1ccc(CN2CCCC22CCN(C3CCCCCC3)C2=O)cc1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589331
PNG
(CHEMBL5182029)
Show SMILES O[C@H]1CN(CC2CCCCC2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50229639
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCC(=CC2)c2ccccc2)CCN(CC1)C(=O)O[C@H]1CCOC1 |c:12|
Show InChI InChI=1S/C23H31N3O7S/c27-21(24-29)23(9-13-25(14-10-23)22(28)33-20-8-15-32-16-20)17-34(30,31)26-11-6-19(7-12-26)18-4-2-1-3-5-18/h1-6,20,29H,7-17H2,(H,24,27)/t20-/m0/s1
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Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50589323
PNG
(CHEMBL5189335)
Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(CN2C[C@H](O)C[C@]22CCN(C3CCCCC3)C2=O)cc1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128884
BindingDB Entry DOI: 10.7270/Q22J6GTK
More data for this
Ligand-Target Pair
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