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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'aiping' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611953
PNG
(CHEMBL5289716)
Show SMILES CN(CC1(CC1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |TLB:17:16:10.11.12:14,19:16:10:12.13.14,19:16:10.11.12:14,THB:15:13:10:16.17.18,15:16:10:12.13.14,17:11:14:15.16.18|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611950
PNG
(CHEMBL5280689)
Show SMILES NC(=O)C12CC3CC(CC(C3)(C1)NC(=O)CN1CCCN(c3c(Cl)cc(Cl)cc3Cl)S1(=O)=O)C2 |TLB:10:5:33:9.8.11,10:9:33:4.5.6,1:3:5.6.10:8,THB:4:3:5.6.10:8,4:5:8:33.3.11|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50353386
PNG
(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C26H24F3NO3/c1-17(18-2-4-19(5-3-18)23-11-10-22(28)16-24(23)29)30-14-12-26(13-15-31,33-25(30)32)20-6-8-21(27)9-7-20/h2-11,16-17,31H,12-15H2,1H3/t17-,26-/m0/s1
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611950
PNG
(CHEMBL5280689)
Show SMILES NC(=O)C12CC3CC(CC(C3)(C1)NC(=O)CN1CCCN(c3c(Cl)cc(Cl)cc3Cl)S1(=O)=O)C2 |TLB:10:5:33:9.8.11,10:9:33:4.5.6,1:3:5.6.10:8,THB:4:3:5.6.10:8,4:5:8:33.3.11|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611946
PNG
(HSD-016 | Hsd-016)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)[C@@](C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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Ligand-Target Pair
Hydroxysteroid 11-beta dehydrogenase 1


(Macaca mulatta)
BDBM50611953
PNG
(CHEMBL5289716)
Show SMILES CN(CC1(CC1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |TLB:17:16:10.11.12:14,19:16:10:12.13.14,19:16:10.11.12:14,THB:15:13:10:16.17.18,15:16:10:12.13.14,17:11:14:15.16.18|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611953
PNG
(CHEMBL5289716)
Show SMILES CN(CC1(CC1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |TLB:17:16:10.11.12:14,19:16:10:12.13.14,19:16:10.11.12:14,THB:15:13:10:16.17.18,15:16:10:12.13.14,17:11:14:15.16.18|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611951
PNG
(CHEMBL5289930)
Show SMILES NC(=O)C12CC3CC(CC(C3)(C1)NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C2 |TLB:30:3:10:7.6.8,THB:4:5:3.11.30:8,4:3:10.5.6:8,1:3:10:7.6.8,1:3:10.5.6:8,30:7:10:4.3.11|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM107664
PNG
(US8575157, 48)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-20(21-10-12-22(13-11-21)23-14-16-29(4)25(31)18-23)30-17-15-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24/h5-14,16,18,20,33H,15,17,19H2,1-4H3/t20-,28-/m0/s1
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611951
PNG
(CHEMBL5289930)
Show SMILES NC(=O)C12CC3CC(CC(C3)(C1)NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C2 |TLB:30:3:10:7.6.8,THB:4:5:3.11.30:8,4:3:10.5.6:8,1:3:10:7.6.8,1:3:10.5.6:8,30:7:10:4.3.11|
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107590
PNG
(US8575157, 31)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H27FN2O4/c1-18(19-3-5-20(6-4-19)21-7-12-24(31)28(2)17-21)29-15-13-26(14-16-30,33-25(29)32)22-8-10-23(27)11-9-22/h3-12,17-18,30H,13-16H2,1-2H3/t18-,26-/m0/s1
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611946
PNG
(HSD-016 | Hsd-016)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)[C@@](C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50611946
PNG
(HSD-016 | Hsd-016)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)[C@@](C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611946
PNG
(HSD-016 | Hsd-016)
Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)[C@@](C)(O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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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 |t:1|
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


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611947
PNG
(CHEMBL5287091)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)sc1CC(Cl)(Cl)Cl
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM32530
PNG
(arylsulfonylpiperazine, 2)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)14-7-4-8-20-15(14)21-9-11-22(12-10-21)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611948
PNG
(CHEMBL5270906)
Show SMILES Fc1cc(c(F)cc1Br)S(=O)(=O)Nc1nc(cs1)-c1sccc1Cl
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50117900
PNG
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
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n/an/a 96n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Rattus norvegicus (rat))
BDBM50611945
PNG
(CHEMBL5273329)
Show SMILES FC(F)(F)c1ccccc1\C=C1\CCC\C(=C/c2ccccc2C(F)(F)F)C1=O
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50353425
PNG
(CHEMBL1829740)
Show SMILES Cc1cccc(c1)N1CCC(C)(OC1=O)c1ccccc1
Show InChI InChI=1S/C18H19NO2/c1-14-7-6-10-16(13-14)19-12-11-18(2,21-17(19)20)15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3
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n/an/a 166n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
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 |t:1|
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 210n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50247012
PNG
(3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...)
Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |r,t:18|
Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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n/an/a 330n/an/an/an/an/an/a


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Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611949
PNG
(CHEMBL5267006)
Show SMILES Clc1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1nc(CC(=O)N2CCOCC2)cs1
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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 779n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50611952
PNG
(CHEMBL5271419)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)C1NCCS1 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
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n/an/a 2.13E+3n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611943
PNG
(18alpha-GLYCYRRHETINIC ACID)
Show SMILES [H][C@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
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n/an/a 2.20E+3n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50611943
PNG
(18alpha-GLYCYRRHETINIC ACID)
Show SMILES [H][C@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
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n/an/a 2.21E+3n/an/an/an/an/an/a


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Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.30E+3n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50117900
PNG
(3-Chloro-2-methyl-N-{4-[2-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
Show InChI InChI=1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
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n/an/a 3.34E+3n/an/an/an/an/an/a


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


(Rattus norvegicus (rat))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 5.79E+3n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50611944
PNG
(CHEMBL5272509)
Show SMILES C[C@H]1O[C@@]23O[C@H](C)[C@@H](C)O[C@@]2(O)CC(=O)C(C)=C3[C@@H]1C |r,c:17|
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n/an/a 9.07E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 1.46E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 2.09E+4n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus (rat))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 3.52E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair