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Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with Target = '11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50174298
PNG
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50202094
PNG
(CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2
Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50340378
PNG
(3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...)
Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195506
PNG
((4-amino-3,5-dichloro-phenyl)-(2-aza-tricyclo[3.3....)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C16H18Cl2N2O/c17-13-6-10(7-14(18)15(13)19)16(21)20-11-2-8-1-9(4-11)5-12(20)3-8/h6-9,11-12H,1-5,19H2
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50202102
PNG
(CHEMBL375156 | N-(5-Hydroxy-adamantan-2-yl)-2-[4-(...)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C23H31F3N4O2/c1-14(21(31)28-20-16-8-15-9-17(20)12-22(32,10-15)11-16)29-4-6-30(7-5-29)19-3-2-18(13-27-19)23(24,25)26/h2-3,13-17,20,32H,4-12H2,1H3,(H,28,31)/t14?,15?,16?,17?,20-,22-
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195481
PNG
((1s,4s)-ethyl 4-(4-amino-3,5-dichloro-N-cyclopropy...)
Show SMILES CCOC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C19H24Cl2N2O3/c1-2-26-19(25)11-3-5-13(6-4-11)23(14-7-8-14)18(24)12-9-15(20)17(22)16(21)10-12/h9-11,13-14H,2-8,22H2,1H3/t11-,13+
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195497
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(3-aminopyr...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
Show InChI InChI=1S/C18H21Cl2N5O/c1-10-8-24(17-15(21)4-3-5-23-17)9-11(2)25(10)18(26)12-6-13(19)16(22)14(20)7-12/h3-7,10-11H,8-9,21-22H2,1-2H3/t10-,11+
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195489
PNG
(4-amino-3,5-dichloro-N-cyclopropyl-N-((1s,4s)-4-(p...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-17-11-14(12-18(23)19(17)24)21(28)26(16-7-8-16)15-5-3-13(4-6-15)20(27)25-9-1-2-10-25/h11-13,15-16H,1-10,24H2/t13-,15+
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5.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195485
PNG
(4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropylben...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCCC1
Show InChI InChI=1S/C16H20Cl2N2O/c17-13-8-10(9-14(18)15(13)19)16(21)20(12-6-7-12)11-4-2-1-3-5-11/h8-9,11-12H,1-7,19H2
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5.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195483
PNG
(CHEMBL373547 | N-adamantan-1-yl-4-amino-3,5-dichlo...)
Show SMILES CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H22Cl2N2O/c1-22(17(23)13-5-14(19)16(21)15(20)6-13)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12H,2-4,7-9,21H2,1H3
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50202086
PNG
(CHEMBL219142 | N-[(E)-5-hydroxy-2-adamantyl]-2-{4-...)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2
Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21-
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195482
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1
Show InChI InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50435691
PNG
(CHEMBL2391968)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195504
PNG
((4-amino-3,5-dichlorophenyl)(1,3,3-trimethyl-6-aza...)
Show SMILES CC12CC(CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C17H22Cl2N2O/c1-16(2)6-11-7-17(3,8-16)9-21(11)15(22)10-4-12(18)14(20)13(19)5-10/h4-5,11H,6-9,20H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195493
PNG
(4-amino-3,5-dichloro-N-cyclopropyl-N-((1s,4s)-4-(1...)
Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N4O2/c1-26-8-10-27(11-9-26)21(29)14-2-4-16(5-3-14)28(17-6-7-17)22(30)15-12-18(23)20(25)19(24)13-15/h12-14,16-17H,2-11,25H2,1H3/t14-,16+
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9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50202087
PNG
(CHEMBL374728 | N-[(1R,3S)-5-hydroxy-2-adamantyl]-2...)
Show SMILES CC(N1CCc2ccc3OCOc3c2CC1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C24H32N2O4/c1-14(23(27)25-21-17-8-15-9-18(21)12-24(28,10-15)11-17)26-6-4-16-2-3-20-22(30-13-29-20)19(16)5-7-26/h2-3,14-15,17-18,21,28H,4-13H2,1H3,(H,25,27)/t14?,15?,17?,18?,21-,24-
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50340386
PNG
(3-(4-(ethylsulfonylmethyl)bicyclo[2.2.2]octan-1-yl...)
Show SMILES CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H26F3N3O2S/c1-3-30(28,29)14-19-8-11-20(12-9-19,13-10-19)18-26-25-17(27(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7H,3,8-14H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195486
PNG
(CHEMBL222317 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)
Show SMILES CCOC(=O)CN1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N3O3/c1-4-25-15(23)9-21-7-10(2)22(11(3)8-21)17(24)12-5-13(18)16(20)14(19)6-12/h5-6,10-11H,4,7-9,20H2,1-3H3/t10-,11+
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195498
PNG
(CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-di...)
Show SMILES COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C21H27Cl2N3O4/c1-25(11-18(27)30-2)20(28)12-3-5-14(6-4-12)26(15-7-8-15)21(29)13-9-16(22)19(24)17(23)10-13/h9-10,12,14-15H,3-8,11,24H2,1-2H3/t12-,14+
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195487
PNG
(4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbe...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCC1
Show InChI InChI=1S/C15H18Cl2N2O/c16-12-7-9(8-13(17)14(12)18)15(20)19(11-5-6-11)10-3-1-2-4-10/h7-8,10-11H,1-6,18H2
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195488
PNG
(CHEMBL374487 | N-((1s,4s)-4-((2-(dimethylamino)eth...)
Show SMILES CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C21H30Cl2N4O2/c1-26(2)10-9-25-20(28)13-3-5-15(6-4-13)27(16-7-8-16)21(29)14-11-17(22)19(24)18(23)12-14/h11-13,15-16H,3-10,24H2,1-2H3,(H,25,28)/t13-,15+
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195499
PNG
((4-amino-3,5-dichlorophenyl)((2R,6S)-4-(2-methoxyp...)
Show SMILES COc1ccccc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2N3O2/c1-12-10-24(17-6-4-5-7-18(17)27-3)11-13(2)25(12)20(26)14-8-15(21)19(23)16(22)9-14/h4-9,12-13H,10-11,23H2,1-3H3/t12-,13+
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195490
PNG
(2-((1s,4s)-4-(4-amino-3,5-dichloro-N-cyclopropylbe...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC(O)=O
Show InChI InChI=1S/C19H23Cl2N3O4/c20-14-7-11(8-15(21)17(14)22)19(28)24(13-5-6-13)12-3-1-10(2-4-12)18(27)23-9-16(25)26/h7-8,10,12-13H,1-6,9,22H2,(H,23,27)(H,25,26)/t10-,12+
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195505
PNG
(CHEMBL223506 | ethyl 2-((3R,5S)-4-(4-amino-3,5-dic...)
Show SMILES CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N4O3/c1-4-30-21(29)15-6-5-7-25-19(15)26-10-12(2)27(13(3)11-26)20(28)14-8-16(22)18(24)17(23)9-14/h5-9,12-13H,4,10-11,24H2,1-3H3/t12-,13+
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195484
PNG
(1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)
Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O
Show InChI InChI=1S/C17H22Cl2N4O2/c1-9-5-12(22-4-3-21-17(22)25)6-10(2)23(9)16(24)11-7-13(18)15(20)14(19)8-11/h7-10,12H,3-6,20H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195503
PNG
(4-amino-N-((1s,4s)-4-(benzylcarbamoyl)cyclohexyl)-...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H27Cl2N3O2/c25-20-12-17(13-21(26)22(20)27)24(31)29(19-10-11-19)18-8-6-16(7-9-18)23(30)28-14-15-4-2-1-3-5-15/h1-5,12-13,16,18-19H,6-11,14,27H2,(H,28,30)/t16-,18+
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50202093
PNG
(2-[3-(2-fluoro-phenoxy)-azetidin-1-yl]-N-(5-hydrox...)
Show SMILES CC(N1CC(C1)Oc1ccccc1F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show InChI InChI=1S/C22H29FN2O3/c1-13(25-11-17(12-25)28-19-5-3-2-4-18(19)23)21(26)24-20-15-6-14-7-16(20)10-22(27,8-14)9-15/h2-5,13-17,20,27H,6-12H2,1H3,(H,24,26)/t13?,14?,15?,16?,20-,22-
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195502
PNG
(CHEMBL221261 | N-((1s,4s)-4-((cyclohexylmethyl)car...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C24H33Cl2N3O2/c25-20-12-17(13-21(26)22(20)27)24(31)29(19-10-11-19)18-8-6-16(7-9-18)23(30)28-14-15-4-2-1-3-5-15/h12-13,15-16,18-19H,1-11,14,27H2,(H,28,30)/t16-,18+
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68n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195492
PNG
(3-((2R,4R)-1-(4-amino-3,5-dichlorobenzoyl)-2-methy...)
Show SMILES C[C@@H]1C[C@@H](CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C20H19Cl2N3O3/c1-11-8-13(25-16-4-2-3-5-17(16)28-20(25)27)6-7-24(11)19(26)12-9-14(21)18(23)15(22)10-12/h2-5,9-11,13H,6-8,23H2,1H3/t11-,13-/m1/s1
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195495
PNG
(3-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dim...)
Show SMILES C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C21H21Cl2N3O3/c1-11-7-14(26-17-5-3-4-6-18(17)29-21(26)28)8-12(2)25(11)20(27)13-9-15(22)19(24)16(23)10-13/h3-6,9-12,14H,7-8,24H2,1-2H3/t11-,12-/m1/s1
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160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM22473
PNG
(2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...)
Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1
Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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180 -38.1n/an/an/an/an/a7.222



Biovitrum AB



Assay Description
Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount ...


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195494
PNG
((4-amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1
Show InChI InChI=1S/C20H23Cl2N3O/c21-17-12-16(13-18(22)19(17)23)20(26)25-10-4-8-24(9-5-11-25)14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14,23H2
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210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50273458
PNG
((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...)
Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1
Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
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300n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50195491
PNG
((4-amino-3,5-dichlorophenyl)(3-benzyl-3,6-diaza-bi...)
Show SMILES Nc1c(Cl)cc(cc1Cl)C(=O)N1CC2CC1CN(Cc1ccccc1)C2
Show InChI InChI=1S/C20H21Cl2N3O/c21-17-7-15(8-18(22)19(17)23)20(26)25-11-14-6-16(25)12-24(10-14)9-13-4-2-1-3-5-13/h1-5,7-8,14,16H,6,9-12,23H2
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2.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50174298
PNG
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018759
PNG
(CHEMBL3291350)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1cccc(I)c1
Show InChI InChI=1S/C18H21IN2O/c1-17(2)13-8-9-18(17,3)15-14(13)16(22)21(20(15)4)12-7-5-6-11(19)10-12/h5-7,10,13H,8-9H2,1-4H3/t13-,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50435691
PNG
(CHEMBL2391968)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3
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n/an/a 4.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018761
PNG
(CHEMBL3291348)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H20Cl2N2O/c1-17(2)11-7-8-18(17,3)15-14(11)16(23)22(21(15)4)13-9-10(19)5-6-12(13)20/h5-6,9,11H,7-8H2,1-4H3/t11-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50340378
PNG
(3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...)
Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50433411
PNG
(CHEMBL2380648)
Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c2ccccc12
Show InChI InChI=1S/C33H45N7O2/c1-32(2,3)38-12-10-37(11-13-38)25-8-9-28(35-21-25)39-14-15-40(27-7-5-4-6-26(27)39)31(42)36-29-23-16-22-17-24(29)20-33(18-22,19-23)30(34)41/h4-9,21-24,29H,10-20H2,1-3H3,(H2,34,41)(H,36,42)/t22?,23?,24?,29-,33-
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n/an/a 7n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50433412
PNG
(CHEMBL2380649)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2
Show InChI InChI=1S/C32H41N7O4S/c33-30(40)32-17-21-15-22(18-32)29(23(16-21)19-32)35-31(41)39-14-13-38(26-3-1-2-4-27(26)39)28-8-5-24(20-34-28)36-9-11-37(12-10-36)44(42,43)25-6-7-25/h1-5,8,20-23,25,29H,6-7,9-19H2,(H2,33,40)(H,35,41)/t21?,22?,23?,29-,32-
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n/an/a 9n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50340386
PNG
(3-(4-(ethylsulfonylmethyl)bicyclo[2.2.2]octan-1-yl...)
Show SMILES CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H26F3N3O2S/c1-3-30(28,29)14-19-8-11-20(12-9-19,13-10-19)18-26-25-17(27(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7H,3,8-14H2,1-2H3
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n/an/a 9.10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018797
PNG
(CHEMBL3291345)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)12-9-10-18(17,3)15-14(12)16(25)24(23(15)4)13-8-6-5-7-11(13)19(20,21)22/h5-8,12H,9-10H2,1-4H3/t12-,18+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018760
PNG
(CHEMBL3291357)
Show SMILES Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N2O/c1-18(2)14-9-10-19(18,3)16-15(14)17(26)25(24(16)4)11-12-7-5-6-8-13(12)20(21,22)23/h5-8,14H,9-11H2,1-4H3/t14-,19+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018793
PNG
(CHEMBL3291344)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccccc2F)n1Cc1ccccc1
Show InChI InChI=1S/C24H25FN2O/c1-23(2)17-13-14-24(23,3)21-20(17)22(28)27(19-12-8-7-11-18(19)25)26(21)15-16-9-5-4-6-10-16/h4-12,17H,13-15H2,1-3H3/t17-,24+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50252367
PNG
(1-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]...)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C22H25F4N3O3S/c1-15-13-28(21-6-5-16(23)11-20(21)22(24,25)26)9-10-29(15)33(31,32)19-4-2-3-17(12-19)27-8-7-18(30)14-27/h2-6,11-12,15,18,30H,7-10,13-14H2,1H3/t15-,18?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018769
PNG
(CHEMBL3291346)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccc(F)cc2F)n1Cc1ccccc1
Show InChI InChI=1S/C24H24F2N2O/c1-23(2)17-11-12-24(23,3)21-20(17)22(29)28(19-10-9-16(25)13-18(19)26)27(21)14-15-7-5-4-6-8-15/h4-10,13,17H,11-12,14H2,1-3H3/t17-,24+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50433405
PNG
(CHEMBL2380642)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12
Show InChI InChI=1S/C29H38N6O4S/c1-40(38,39)33-10-8-32(9-11-33)23-6-7-26(30-19-23)34-12-13-35(25-5-3-2-4-24(25)34)28(36)31-27-21-14-20-15-22(27)18-29(37,16-20)17-21/h2-7,19-22,27,37H,8-18H2,1H3,(H,31,36)/t20?,21?,22?,27-,29-
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n/an/a 16n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50018794
PNG
(CHEMBL3291340)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-23(2)19-14-15-24(23,3)21-20(19)22(27)26(18-12-8-5-9-13-18)25(21)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/t19-,24+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA


Citation and Details
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50433408
PNG
(CHEMBL2380645)
Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12
Show InChI InChI=1S/C32H44N6O2/c1-31(2,3)36-12-10-35(11-13-36)25-8-9-28(33-21-25)37-14-15-38(27-7-5-4-6-26(27)37)30(39)34-29-23-16-22-17-24(29)20-32(40,18-22)19-23/h4-9,21-24,29,40H,10-20H2,1-3H3,(H,34,39)/t22?,23?,24?,29-,32-
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n/an/a 18n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Citation and Details
More data for this
Ligand-Target Pair
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