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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'UDP-glucuronosyltransferase 2B17' AND taxid = 9606   
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
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50211740
PNG
((1R)-phenyl-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H30O/c1-20(2)12-7-13-21(3)16-11-10-15(17(16)20)18(21)19(22)14-8-5-4-6-9-14/h4-6,8-9,15-19,22H,7,10-13H2,1-3H3/t15-,16+,17-,18+,19-,21-/m0/s1
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PubMed
2.18E+4n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT2B17 assessed as reduction of scopoletin glucuronidation


J Med Chem 50: 2655-64 (2007)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183611
PNG
((rac)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-...)
Show SMILES Cc1cc(C)c2CCCC(O)c2c1
Show InChI InChI=1S/C12H16O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7,12-13H,3-5H2,1-2H3
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PubMed
5.78E+4n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183611
PNG
((rac)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-...)
Show SMILES Cc1cc(C)c2CCCC(O)c2c1
Show InChI InChI=1S/C12H16O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7,12-13H,3-5H2,1-2H3
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1.90E+5n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Non competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183598
PNG
((rac)-6-methyl-3,4-dihydro-2H-chromen-4-ol | CHEMB...)
Show SMILES Cc1ccc2OCCC(O)c2c1
Show InChI InChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3
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2.01E+5n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183609
PNG
((rac)-6-methyl-2,3-dihydro-1H-inden-1-ol | CHEMBL2...)
Show SMILES Cc1ccc2CCC(O)c2c1
Show InChI InChI=1S/C10H12O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6,10-11H,4-5H2,1H3
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PubMed
4.27E+5n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183598
PNG
((rac)-6-methyl-3,4-dihydro-2H-chromen-4-ol | CHEMB...)
Show SMILES Cc1ccc2OCCC(O)c2c1
Show InChI InChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3
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PubMed
6.08E+5n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Non competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183609
PNG
((rac)-6-methyl-2,3-dihydro-1H-inden-1-ol | CHEMBL2...)
Show SMILES Cc1ccc2CCC(O)c2c1
Show InChI InChI=1S/C10H12O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6,10-11H,4-5H2,1H3
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PubMed
1.44E+6n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Non competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183620
PNG
((+)-(S)-5,7-Dimethyl-1-tetralol | CHEMBL205772)
Show SMILES Cc1cc(C)c2CCC[C@H](O)c2c1
Show InChI InChI=1S/C12H16O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7,12-13H,3-5H2,1-2H3/t12-/m0/s1
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n/an/a 9.80E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183621
PNG
((+/-)-(R)-5-Methoxy-1-tetralol | CHEMBL381170)
Show SMILES COc1cccc2[C@H](O)CCCc12
Show InChI InChI=1S/C11H14O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7,10,12H,2,5-6H2,1H3/t10-/m1/s1
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183615
PNG
((+)-(S)-5-Methoxy-1-tetralol | CHEMBL205701)
Show SMILES COc1cccc2[C@@H](O)CCCc12
Show InChI InChI=1S/C11H14O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7,10,12H,2,5-6H2,1H3/t10-/m0/s1
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n/an/a 1.32E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183614
PNG
((+/-)-(R)-5,7-Dimethyl-1-tetralol | CHEMBL383503)
Show SMILES Cc1cc(C)c2CCC[C@@H](O)c2c1
Show InChI InChI=1S/C12H16O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7,12-13H,3-5H2,1-2H3/t12-/m1/s1
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n/an/a 1.44E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183618
PNG
((+/-)-(R)-7-Methoxy-1-tetralol | CHEMBL206379)
Show SMILES COc1ccc2CCC[C@@H](O)c2c1
Show InChI InChI=1S/C11H14O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11-12H,2-4H2,1H3/t11-/m1/s1
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n/an/a 1.62E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183608
PNG
((+)-(S)-7-Methoxy-1-tetralol | CHEMBL381981)
Show SMILES COc1ccc2CCC[C@H](O)c2c1
Show InChI InChI=1S/C11H14O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11-12H,2-4H2,1H3/t11-/m0/s1
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n/an/a 2.16E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183595
PNG
((+/-)-(R)-7-Nitro-1-tetralol | CHEMBL381338)
Show SMILES O[C@@H]1CCCc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C10H11NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,10,12H,1-3H2/t10-/m1/s1
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n/an/a 2.17E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183616
PNG
((R)-1,2,3,4-tetrahydronaphthalen-1-ol | CHEMBL2034...)
Show SMILES O[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m1/s1
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n/an/a 2.42E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183602
PNG
((+)-(S)-7-Nitro-1-tetralol | CHEMBL378390)
Show SMILES O[C@H]1CCCc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C10H11NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6,10,12H,1-3H2/t10-/m0/s1
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n/an/a 3.05E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183604
PNG
((+/-)-(S)-4-Chromanol | CHEMBL202957)
Show SMILES O[C@H]1CCOc2ccccc12
Show InChI InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m0/s1
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n/an/a 3.19E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183619
PNG
((+/-)-(S)-6-Methyl-4-chromanol | CHEMBL382042)
Show SMILES Cc1ccc2OCC[C@H](O)c2c1
Show InChI InChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3/t9-/m0/s1
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n/an/a 3.25E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183597
PNG
((+)-(R)-6-Methyl-4-chromanol | CHEMBL206757)
Show SMILES Cc1ccc2OCC[C@@H](O)c2c1
Show InChI InChI=1S/C10H12O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1
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n/an/a 3.65E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM26271
PNG
((1S)-1,2,3,4-tetrahydronaphthalen-1-ol | CHEMBL206...)
Show SMILES O[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m0/s1
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n/an/a 3.74E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183607
PNG
((+)-(R)-1-Naphthalen-1-ylethanol | CHEMBL378554)
Show SMILES C[C@@H](O)c1cccc2ccccc12
Show InChI InChI=1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3/t9-/m1/s1
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n/an/a 3.89E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183605
PNG
((+)-(R)-4-Chromanol | CHEMBL206124)
Show SMILES O[C@@H]1CCOc2ccccc12
Show InChI InChI=1S/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
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n/an/a 4.48E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183610
PNG
((+/-)-(R)-6-Methyl-1-indalol | CHEMBL380136)
Show SMILES Cc1ccc2CC[C@@H](O)c2c1
Show InChI InChI=1S/C10H12O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6,10-11H,4-5H2,1H3/t10-/m1/s1
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n/an/a 4.89E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183613
PNG
((R)-2,3-dihydro-1H-inden-1-ol | CHEMBL383641)
Show SMILES O[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m1/s1
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PubMed
n/an/a 5.17E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183617
PNG
((+/-)-(S)-1-Naphthalen-1-ylethanol | CHEMBL208435)
Show SMILES C[C@H](O)c1cccc2ccccc12
Show InChI InChI=1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3/t9-/m0/s1
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n/an/a 5.37E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183600
PNG
((S)-2,3-dihydro-1H-inden-1-ol | CHEMBL381761)
Show SMILES O[C@H]1CCc2ccccc12
Show InChI InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1
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n/an/a 5.45E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183596
PNG
((+)-(R)-1-Naphthalen-2-ylethanol | CHEMBL206560)
Show SMILES C[C@@H](O)c1ccc2ccccc2c1
Show InChI InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3/t9-/m1/s1
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PubMed
n/an/a 5.78E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183603
PNG
((+/-)-(S)-1-Anthracen-9-ylethanol | CHEMBL204219)
Show SMILES C[C@H](O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C16H14O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11,17H,1H3/t11-/m0/s1
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n/an/a 6.06E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183612
PNG
((+)-(S)-4-Methyl-1-indalol | CHEMBL380519)
Show SMILES Cc1cccc2[C@@H](O)CCc12
Show InChI InChI=1S/C10H12O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h2-4,10-11H,5-6H2,1H3/t10-/m0/s1
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n/an/a 6.08E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183606
PNG
((+/-)-(S)-1-Naphthalen-2-ylethanol | CHEMBL206369)
Show SMILES C[C@H](O)c1ccc2ccccc2c1
Show InChI InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3/t9-/m0/s1
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PubMed
n/an/a 6.57E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183601
PNG
((+/-)-(R)-4-Methyl-1-indalol | CHEMBL202751)
Show SMILES Cc1cccc2[C@H](O)CCc12
Show InChI InChI=1S/C10H12O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h2-4,10-11H,5-6H2,1H3/t10-/m1/s1
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PubMed
n/an/a 6.82E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183599
PNG
((+)-(R)-1-Anthracen-9-ylethanol | CHEMBL204218)
Show SMILES C[C@@H](O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C16H14O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11,17H,1H3/t11-/m1/s1
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PubMed
n/an/a 7.03E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B17


(Homo sapiens)
BDBM50183622
PNG
((+)-(S)-6-Methyl-1-indalol | CHEMBL202955)
Show SMILES Cc1ccc2CC[C@H](O)c2c1
Show InChI InChI=1S/C10H12O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6,10-11H,4-5H2,1H3/t10-/m0/s1
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PubMed
n/an/a 7.28E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of UGT2B17


J Med Chem 49: 1818-27 (2006)

More data for this
Ligand-Target Pair