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13 similar compounds to monomer 50392924

Compile data set for download or QSAR
Wt: 449.3
BDBM50198932
Wt: 449.3
BDBM50198934
Wt: 451.0
BDBM50392923
Wt: 499.0
BDBM50392925
Wt: 398.9
BDBM50392926
Wt: 414.9
BDBM50392927
Wt: 467.0
BDBM50392928
Wt: 443.5
BDBM50392932
Wt: 494.6
BDBM50392934
Wt: 384.9
BDBM50392920
Wt: 398.9
BDBM50392921
Wt: 414.9
BDBM50392922
Wt: 467.0
BDBM50017007

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50198932,50198934,50392923,50392925,50392926,50392927,50392928,50392932,50392934,50392920,50392921,50392922,50017007   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50017007
PNG
(CHEMBL3287026)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-4-7-20(14)31(29,30)26-8-3-2-6-19(26)22(27)25-21-16-9-15-10-17(21)13-23(28,11-15)12-16/h4-5,7,15-17,19,21,28H,2-3,6,8-13H2,1H3,(H,25,27)/t15?,16?,17?,19-,21-,23-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50392932
PNG
(CHEMBL2152231)
Show SMILES C[C@@]1(CCCN1S(=O)(=O)c1ccccc1C#N)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H29N3O4S/c1-22(7-4-8-26(22)31(29,30)19-6-3-2-5-16(19)14-24)21(27)25-20-17-9-15-10-18(20)13-23(28,11-15)12-17/h2-3,5-6,15,17-18,20,28H,4,7-13H2,1H3,(H,25,27)/t15?,17?,18?,20-,22-,23-/m1/s1
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n/an/a 125n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50198934
PNG
((cis)-2-((S)-1-(3,5-dichlorophenylsulfonyl)pyrroli...)
Show SMILES OC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H22Cl2N2O5S/c19-11-8-12(20)10-13(9-11)28(26,27)22-7-3-6-16(22)17(23)21-15-5-2-1-4-14(15)18(24)25/h8-10,14-16H,1-7H2,(H,21,23)(H,24,25)/t14-,15-,16-/m0/s1
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n/an/a 525n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human VLA4 alpha4beta1 in Jurkat cells


Bioorg Med Chem Lett 17: 597-601 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.011
BindingDB Entry DOI: 10.7270/Q2639PDK
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50198932
PNG
((trans)-2-((S)-1-(3,5-dichlorophenylsulfonyl)pyrro...)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H22Cl2N2O5S/c19-11-8-12(20)10-13(9-11)28(26,27)22-7-3-6-16(22)17(23)21-15-5-2-1-4-14(15)18(24)25/h8-10,14-16H,1-7H2,(H,21,23)(H,24,25)/t14-,15+,16-/m0/s1
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n/an/a 9.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human VLA4 alpha4beta1 in Jurkat cells


Bioorg Med Chem Lett 17: 597-601 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.011
BindingDB Entry DOI: 10.7270/Q2639PDK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392920
PNG
(CHEMBL2152218)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCCC1
Show InChI InChI=1S/C18H25ClN2O3S/c1-13-15(19)9-5-11-17(13)25(23,24)21-12-6-10-16(21)18(22)20-14-7-3-2-4-8-14/h5,9,11,14,16H,2-4,6-8,10,12H2,1H3,(H,20,22)/t16-/m1/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392921
PNG
(CHEMBL2152219)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H27ClN2O3S/c1-14-16(20)10-6-11-17(14)26(24,25)22-13-7-12-19(22,2)18(23)21-15-8-4-3-5-9-15/h6,10-11,15H,3-5,7-9,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392922
PNG
(CHEMBL2152220)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C19H27ClN2O4S/c1-13-16(20)5-3-6-17(13)27(25,26)22-12-4-11-19(22,2)18(24)21-14-7-9-15(23)10-8-14/h3,5-6,14-15,23H,4,7-12H2,1-2H3,(H,21,24)/t14-,15-,19-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392923
PNG
(CHEMBL2152222)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C23H31ClN2O3S/c1-14-19(24)5-3-6-20(14)30(28,29)26-8-4-7-23(26,2)22(27)25-21-17-10-15-9-16(12-17)13-18(21)11-15/h3,5-6,15-18,21H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,18?,21?,23-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392925
PNG
(CHEMBL2151051)
Show SMILES COC(=O)[C@H]1CC2COCC(C1)[C@H]2NC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1C
Show InChI InChI=1S/C23H31ClN2O6S/c1-14-18(24)6-4-7-19(14)33(29,30)26-9-5-8-23(26,2)22(28)25-20-16-10-15(21(27)31-3)11-17(20)13-32-12-16/h4,6-7,15-17,20H,5,8-13H2,1-3H3,(H,25,28)/t15-,16?,17?,20-,23-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392926
PNG
(CHEMBL2152225)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H27ClN2O3S/c1-14-16(20)10-6-11-17(14)26(24,25)22-13-7-12-19(22,2)18(23)21-15-8-4-3-5-9-15/h6,10-11,15H,3-5,7-9,12-13H2,1-2H3,(H,21,23)/t19-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392927
PNG
(CHEMBL2152226)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C19H27ClN2O4S/c1-13-16(20)5-3-6-17(13)27(25,26)22-12-4-11-19(22,2)18(24)21-14-7-9-15(23)10-8-14/h3,5-6,14-15,23H,4,7-12H2,1-2H3,(H,21,24)/t14-,15-,19-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392928
PNG
(CHEMBL2152227)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392932
PNG
(CHEMBL2152231)
Show SMILES C[C@@]1(CCCN1S(=O)(=O)c1ccccc1C#N)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H29N3O4S/c1-22(7-4-8-26(22)31(29,30)19-6-3-2-5-16(19)14-24)21(27)25-20-17-9-15-10-18(20)13-23(28,11-15)12-17/h2-3,5-6,15,17-18,20,28H,4,7-13H2,1H3,(H,25,27)/t15?,17?,18?,20-,22-,23-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50392934
PNG
(CHEMBL2152233)
Show SMILES C[C@@]1(CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C28H34N2O4S/c1-27(26(31)29-25-22-14-19-15-23(25)18-28(32,16-19)17-22)12-5-13-30(27)35(33,34)24-10-8-21(9-11-24)20-6-3-2-4-7-20/h2-4,6-11,19,22-23,25,32H,5,12-18H2,1H3,(H,29,31)/t19?,22?,23?,25-,27-,28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50392923
PNG
(CHEMBL2152222)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C23H31ClN2O3S/c1-14-19(24)5-3-6-20(14)30(28,29)26-8-4-7-23(26,2)22(27)25-21-17-10-15-9-16(12-17)13-18(21)11-15/h3,5-6,15-18,21H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,18?,21?,23-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50392928
PNG
(CHEMBL2152227)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11betaHSD1 by scintillation proximity assay


ACS Med Chem Lett 3: 793-798 (2012)


Article DOI: 10.1021/ml300144n
BindingDB Entry DOI: 10.7270/Q2K938NZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50017007
PNG
(CHEMBL3287026)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-4-7-20(14)31(29,30)26-8-3-2-6-19(26)22(27)25-21-16-9-15-10-17(21)13-23(28,11-15)12-16/h4-5,7,15-17,19,21,28H,2-3,6,8-13H2,1H3,(H,25,27)/t15?,16?,17?,19-,21-,23-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair