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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'ahn' and Initial = 'sh'   
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
Monoamine oxidase


(Bos taurus)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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7.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine liver MAOB


J Nat Prod 55: 269-284 (1992)


Article DOI: 10.1021/np50081a001
BindingDB Entry DOI: 10.7270/Q2P26Z45
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167443
PNG
(US9073906, 128)
Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31)
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n/an/a 0.100n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167438
PNG
(US9073906, 88)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)
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n/an/a 0.200n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167440
PNG
(US9073906, 122)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)
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n/an/a 0.400n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167441
PNG
(US9073906, 123)
Show SMILES CN(CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29)
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n/an/a 0.800n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384522
PNG
(CHEMBL2036234)
Show SMILES CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384519
PNG
(CHEMBL2036239)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384518
PNG
(CHEMBL2036240)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)/t12?,13?,14?,19-,22-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384519
PNG
(CHEMBL2036239)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384520
PNG
(CHEMBL2036232)
Show SMILES CN(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384521
PNG
(CHEMBL2036233)
Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167444
PNG
(US9073906, 156)
Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)
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n/an/a 1n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167451
PNG
(US9073906, 196)
Show SMILES C[C@@H]1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12-,13?,14?,15?,20?,23?/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384522
PNG
(CHEMBL2036234)
Show SMILES CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23-
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384520
PNG
(CHEMBL2036232)
Show SMILES CN(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167437
PNG
(US9073906, 69)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-3-1-4-18(9-17)27-6-2-5-26(32(27,30)31)13-19(28)25-20-15-7-14-8-16(20)12-22(10-14,11-15)21(24)29/h1,3-4,9,14-16,20H,2,5-8,10-13H2,(H2,24,29)(H,25,28)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384518
PNG
(CHEMBL2036240)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)/t12?,13?,14?,19-,22-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167449
PNG
(US9073906, 183)
Show SMILES CC1CN(CC(=O)NC2C3CC4CC2C[C@@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12?,13?,14?,15?,20?,23-
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n/an/a 4.80n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384524
PNG
(CHEMBL2036236)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC4(CC4)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C24H29Cl3N4O4S/c25-16-5-17(26)21(18(27)6-16)31-12-23(1-2-23)11-30(36(31,34)35)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,1-4,7-12H2,(H2,28,33)(H,29,32)/t13?,14?,15?,20-,24-
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167448
PNG
(US9073906, 177)
Show SMILES CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H31Cl3N4O4S/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32)
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n/an/a 5n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384525
PNG
(CHEMBL2036237)
Show SMILES CC1(C)CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H31Cl3N4O4S/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32)/t13?,14?,15?,20-,24-
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167447
PNG
(US9073906, 176)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC4(CC4)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C24H29Cl3N4O4S/c25-16-5-17(26)21(18(27)6-16)31-12-23(1-2-23)11-30(36(31,34)35)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,1-4,7-12H2,(H2,28,33)(H,29,32)
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n/an/a 5n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384523
PNG
(CHEMBL2036235)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384529
PNG
(CHEMBL2036424 | US9073906, 2)
Show SMILES O=C(CN1CCCN(c2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C21H29N3O3S/c25-20(22-21-17-10-15-9-16(12-17)13-18(21)11-15)14-23-7-4-8-24(28(23,26)27)19-5-2-1-3-6-19/h1-3,5-6,15-18,21H,4,7-14H2,(H,22,25)
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n/an/a 12n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384529
PNG
(CHEMBL2036424 | US9073906, 2)
Show SMILES O=C(CN1CCCN(c2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C21H29N3O3S/c25-20(22-21-17-10-15-9-16(12-17)13-18(21)11-15)14-23-7-4-8-24(28(23,26)27)19-5-2-1-3-6-19/h1-3,5-6,15-18,21H,4,7-14H2,(H,22,25)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167435
PNG
(US9073906, 59)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28)
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n/an/a 14n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384532
PNG
(CHEMBL2036428)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28)/t14?,15?,16?,20-,22-
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167446
PNG
(US9073906, 175)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)
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n/an/a 14n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384523
PNG
(CHEMBL2036235)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C23H27Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,13-15,20H,1-3,6-11H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23-
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384531
PNG
(CHEMBL2036427)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H30N4O4S/c23-21(28)22-11-15-9-16(12-22)20(17(10-15)13-22)24-19(27)14-25-7-4-8-26(31(25,29)30)18-5-2-1-3-6-18/h1-3,5-6,15-17,20H,4,7-14H2,(H2,23,28)(H,24,27)/t15?,16?,17?,20-,22-
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167436
PNG
(US9073906, 60)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H30N4O4S/c23-21(28)22-11-15-9-16(12-22)20(17(10-15)13-22)24-19(27)14-25-7-4-8-26(31(25,29)30)18-5-2-1-3-6-18/h1-3,5-6,15-17,20H,4,7-14H2,(H2,23,28)(H,24,27)
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n/an/a 17n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167439
PNG
(US9073906, 89)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(F)cc(F)cc4F)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H27F3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)
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n/an/a 20n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384535
PNG
(CHEMBL2036242)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4c(F)cc(F)cc4F)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H27F3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)/t12?,13?,14?,19-,22-
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384524
PNG
(CHEMBL2036236)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC4(CC4)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C24H29Cl3N4O4S/c25-16-5-17(26)21(18(27)6-16)31-12-23(1-2-23)11-30(36(31,34)35)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,1-4,7-12H2,(H2,28,33)(H,29,32)/t13?,14?,15?,20-,24-
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384525
PNG
(CHEMBL2036237)
Show SMILES CC1(C)CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H31Cl3N4O4S/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32)/t13?,14?,15?,20-,24-
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309943
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C29H21NO5S/c31-25(22-17-15-21(16-18-22)20-9-3-1-4-10-20)19-30-27(28(32)23-11-5-2-6-12-23)29(33)24-13-7-8-14-26(24)36(30,34)35/h1-18,33H,19H2
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n/an/a 28n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309944
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H16N2O7S/c26-19(15-10-12-17(13-11-15)25(29)30)14-24-21(22(27)16-6-2-1-3-7-16)23(28)18-8-4-5-9-20(18)33(24,31)32/h1-13,28H,14H2
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n/an/a 30n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309945
PNG
(4-[2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C25H19NO7S/c1-33-25(30)18-13-11-16(12-14-18)20(27)15-26-22(23(28)17-7-3-2-4-8-17)24(29)19-9-5-6-10-21(19)34(26,31)32/h2-14,29H,15H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309934
PNG
(2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-ben...)
Show SMILES OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H17NO5S/c25-19(16-9-3-1-4-10-16)15-24-21(22(26)17-11-5-2-6-12-17)23(27)18-13-7-8-14-20(18)30(24,28)29/h1-14,27H,15H2
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n/an/a 31n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50309946
PNG
(4-[2-(3-Benzoyl-4-hydroxy-1,1-dioxo-1H-1lambda*6*-...)
Show SMILES OC1=C(N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H16N2O5S/c25-14-16-10-12-17(13-11-16)20(27)15-26-22(23(28)18-6-2-1-3-7-18)24(29)19-8-4-5-9-21(19)32(26,30)31/h1-13,29H,15H2
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n/an/a 40n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay


Bioorg Med Chem Lett 20: 1065-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.035
BindingDB Entry DOI: 10.7270/Q26M36XD
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384533
PNG
(CHEMBL2036429)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-3-1-4-18(9-17)27-6-2-5-26(32(27,30)31)13-19(28)25-20-15-7-14-8-16(20)12-22(10-14,11-15)21(24)29/h1,3-4,9,14-16,20H,2,5-8,10-13H2,(H2,24,29)(H,25,28)/t14?,15?,16?,20-,22-
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384521
PNG
(CHEMBL2036233)
Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23-
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167434
PNG
(US9073906, 44)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccc(F)cc4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-2-4-18(5-3-17)27-7-1-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h2-5,14-16,20H,1,6-13H2,(H2,24,29)(H,25,28)
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US Patent
n/an/a 79n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50325035
PNG
(5-(pyridin-3-ylmethylene)-2-(3-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC2=NC(=O)C(S2)=Cc2cccnc2)c1
Show InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)11-4-1-5-12(8-11)21-15-22-14(23)13(24-15)7-10-3-2-6-20-9-10/h1-9H,(H,21,22,23)
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n/an/a 125n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor expressed in CHOK1 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5130-2 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.018
BindingDB Entry DOI: 10.7270/Q23778X1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384533
PNG
(CHEMBL2036429)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-3-1-4-18(9-17)27-6-2-5-26(32(27,30)31)13-19(28)25-20-15-7-14-8-16(20)12-22(10-14,11-15)21(24)29/h1,3-4,9,14-16,20H,2,5-8,10-13H2,(H2,24,29)(H,25,28)/t14?,15?,16?,20-,22-
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384535
PNG
(CHEMBL2036242)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4c(F)cc(F)cc4F)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H27F3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)/t12?,13?,14?,19-,22-
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n/an/a 157n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384532
PNG
(CHEMBL2036428)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H29FN4O4S/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28)/t14?,15?,16?,20-,22-
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM167442
PNG
(US9073906, 124)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C21H25Cl3N4O4S/c22-14-5-15(23)19(16(24)6-14)28-2-1-27(33(28,31)32)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,1-4,7-10H2,(H2,25,30)(H,26,29)
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US Patent
n/an/a 187n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce...


US Patent US9073906 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MFB
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50384536
PNG
(CHEMBL2036238)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C21H25Cl3N4O4S/c22-14-5-15(23)19(16(24)6-14)28-2-1-27(33(28,31)32)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,1-4,7-10H2,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21-
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n/an/a 187n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50384531
PNG
(CHEMBL2036427)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2
Show InChI InChI=1S/C22H30N4O4S/c23-21(28)22-11-15-9-16(12-22)20(17(10-15)13-22)24-19(27)14-25-7-4-8-26(31(25,29)30)18-5-2-1-3-6-18/h1-3,5-6,15-17,20H,4,7-14H2,(H2,23,28)(H,24,27)/t15?,16?,17?,20-,22-
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n/an/a 207n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay


ACS Med Chem Lett 3: 88-93 (2012)


Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0
More data for this
Ligand-Target Pair
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