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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'kim' and Initial = 'hy'   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50017292
PNG
(CHEMBL3287734)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
Show InChI InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18-/m1/s1
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194n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED/RbAp46/48 (unknown origin) using histone H3 peptide/varying conce...


Bioorg Med Chem Lett 24: 2486-92 (2014)

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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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)

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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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)

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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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)

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...


Citation and Details
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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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)

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)

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)

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...


Citation and Details
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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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)

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)

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...


Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334709
PNG
(3-(3-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-2-1-3-16(8-15)31(28,29)25-4-5-30-19(25)18(26)24-17-13-6-12-7-14(17)11-21(9-12,10-13)20(23)27/h1-3,8,12-14,17,19H,4-7,9-11H2,(H2,23,27)(H,24,26)
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n/an/a 4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

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)

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...


Citation and Details
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)

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...


Citation and Details
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334704
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
Show InChI InChI=1S/C21H25Cl2N3O4S2/c22-15-2-1-14(7-16(15)23)32(29,30)26-3-4-31-19(26)18(27)25-17-12-5-11-6-13(17)10-21(8-11,9-12)20(24)28/h1-2,7,11-13,17,19H,3-6,8-10H2,(H2,24,28)(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

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...


Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50334705
PNG
(3-Benzenesulfonyl-thiazolidine-2-carboxylic acid(5...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1)C(C3)C2
Show InChI InChI=1S/C21H27N3O4S2/c22-20(26)21-10-13-8-14(11-21)17(15(9-13)12-21)23-18(25)19-24(6-7-29-19)30(27,28)16-4-2-1-3-5-16/h1-5,13-15,17,19H,6-12H2,(H2,22,26)(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334706
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H29N3O4S2/c1-13-2-4-17(5-3-13)31(28,29)25-6-7-30-20(25)19(26)24-18-15-8-14-9-16(18)12-22(10-14,11-15)21(23)27/h2-5,14-16,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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n/an/a 8n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334694
PNG
(3-Benzenesulfonyl-thiazolidine-2-carboxylic acid a...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H26N2O3S2/c23-19(21-18-15-9-13-8-14(11-15)12-16(18)10-13)20-22(6-7-26-20)27(24,25)17-4-2-1-3-5-17/h1-5,13-16,18,20H,6-12H2,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334699
PNG
(3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H25FN2O3S2/c21-16-3-1-2-4-17(16)28(25,26)23-5-6-27-20(23)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18,20H,5-11H2,(H,22,24)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334700
PNG
(3-(4-Chloro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H25ClN2O3S2/c21-16-1-3-17(4-2-16)28(25,26)23-5-6-27-20(23)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18,20H,5-11H2,(H,22,24)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334714
PNG
((R)-1-(2-Fluoro-benzenesulfonyl)-pyrrolidine-2-car...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
Show InChI InChI=1S/C22H28FN3O4S/c23-16-4-1-2-6-18(16)31(29,30)26-7-3-5-17(26)20(27)25-19-14-8-13-9-15(19)12-22(10-13,11-14)21(24)28/h1-2,4,6,13-15,17,19H,3,5,7-12H2,(H2,24,28)(H,25,27)/t13?,14?,15?,17-,19?,22?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334701
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H24Cl2N2O3S2/c21-16-2-1-15(10-17(16)22)29(26,27)24-3-4-28-20(24)19(25)23-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-2,10-14,18,20H,3-9H2,(H,23,25)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334709
PNG
(3-(3-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-2-1-3-16(8-15)31(28,29)25-4-5-30-19(25)18(26)24-17-13-6-12-7-14(17)11-21(9-12,10-13)20(23)27/h1-3,8,12-14,17,19H,4-7,9-11H2,(H2,23,27)(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334710
PNG
(3-(4-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(F)cc1)C(C3)C2
Show InChI InChI=1S/C21H26FN3O4S2/c22-15-1-3-16(4-2-15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

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)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Korea University of Science and Technology (UST)

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Sprague-Dawley rat cerebral cortex membrane by radiometric competitive assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334707
PNG
(3-(4-Methoxy-benzenesulfonyl)-thiazolidine-2-carbo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O
Show InChI InChI=1S/C22H29N3O5S2/c1-30-16-2-4-17(5-3-16)32(28,29)25-6-7-31-20(25)19(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)21(23)27/h2-5,13-15,18,20H,6-12H2,1H3,(H2,23,27)(H,24,26)
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n/an/a 16n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
EZH2/SUZ12/EED complex


(Homo sapiens (Human))
BDBM50017293
PNG
(CHEMBL3287735)
Show SMILES CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)

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...


Citation and Details
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)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334695
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C21H28N2O3S2/c1-13-2-4-18(5-3-13)28(25,26)23-6-7-27-21(23)20(24)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-5,14-17,19,21H,6-12H2,1H3,(H,22,24)
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n/an/a 20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334689
PNG
(3-Benzyl-thiazolidine-2-carboxylic acid adamantan-...)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1Cc1ccccc1
Show InChI InChI=1S/C21H28N2OS/c24-20(21-23(6-7-25-21)13-14-4-2-1-3-5-14)22-19-17-9-15-8-16(11-17)12-18(19)10-15/h1-5,15-19,21H,6-13H2,(H,22,24)
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n/an/a 20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50334698
PNG
(3-(4-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H25FN2O3S2/c21-16-1-3-17(4-2-16)28(25,26)23-5-6-27-20(23)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h1-4,12-15,18,20H,5-11H2,(H,22,24)
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n/an/a 20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)

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)

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...


Citation and Details
More data for this
Ligand-Target Pair
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