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Compile Data Set for Download or QSAR

Found 467 hits with Last Name = 'qian' and Initial = 'dq'   
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
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
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))
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))
BDBM50595152
PNG
(CHEMBL5187458)
Show SMILES O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(nc1)-c1ccccc1 |r|
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n/an/a 2.20n/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))
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))
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))
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))
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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n/an/a 3.20n/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))
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
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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n/an/a 4.60n/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))
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))
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))
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))
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))
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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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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n/an/a 5.10n/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))
BDBM50589350
PNG
(CHEMBL5192382)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)OC(=O)c1ccccc21
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n/an/a 5.30n/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))
BDBM50589350
PNG
(CHEMBL5192382)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)OC(=O)c1ccccc21
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n/an/a 5.30n/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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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))
BDBM50595141
PNG
(CHEMBL5201898)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CC[C@H](C1)c1ccccc1 |r|
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n/an/a 6n/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))
BDBM50589321
PNG
(CHEMBL5172036)
Show SMILES O[C@H]1CN(Cc2ccc(Cl)cc2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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n/an/a 6n/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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n/an/a 6.20n/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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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))
BDBM50589331
PNG
(CHEMBL5182029)
Show SMILES O[C@H]1CN(CC2CCCCC2)[C@@]2(CCN(C3CCCCC3)C2=O)C1 |r|
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n/an/a 7n/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))
BDBM50595136
PNG
(CHEMBL5177277)
Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1ccncc1
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n/an/a 7n/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))
BDBM50589311
PNG
(CHEMBL5194187)
Show SMILES FC(F)(F)c1ccc(CN2CCCC22CCN(C3CCCCC3)C2=O)cc1
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n/an/a 7n/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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n/an/a 7n/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))
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 7n/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))
BDBM50589315
PNG
(CHEMBL5201231)
Show SMILES Clc1ccc(CN2CCCC22CCN(C3CCCCCC3)C2=O)cc1
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n/an/a 7n/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))
BDBM50589320
PNG
(CHEMBL5178986)
Show SMILES O[C@H]1CN(Cc2ccc(Cl)cc2)C2(CCN(C3CCCCC3)C2=O)C1 |r|
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n/an/a 7n/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))
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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n/an/a 7.20n/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))
BDBM50239401
PNG
(3-Adamantan-1-yl-6,7,8,9-tetrahydro-5H-[1,2,4]tria...)
Show SMILES C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9|
Show InChI InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
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n/an/a 7.70n/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))
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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n/an/a 7.70n/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))
BDBM50595143
PNG
(CHEMBL5183130)
Show SMILES Cc1ccccc1C1CCN(C1)C(=O)C1(CC1)c1ccc(Cl)cc1
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n/an/a 8n/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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n/an/a 8n/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))
BDBM50589313
PNG
(CHEMBL5196190)
Show SMILES Clc1ccc(CN2CCCC22CCN(C3CCCCC3)C2=O)cc1
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n/an/a 8n/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))
BDBM50268906
PNG
((2S,3S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O4/c29-20(27-8-4-5-9-27)15-17-14-19(22(30)25-32)21(24-16-17)23(31)28-12-10-26(11-13-28)18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24,32H,4-5,8-16H2,(H,25,30)/t17?,19-,21-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
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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n/an/a 8n/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
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