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Compile Data Set for Download or QSAR

Found 98 hits of ic50 for UniProtKB: P16662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
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 |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
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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n/an/a 47n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 by substrate-independent inhibition assay


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
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 |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
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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n/an/a 54n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211775
PNG
(((1S,3aR,4S,8aR,9S)-4,8,8-trimethyl-decahydro-1,4-...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CO |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12+,13+,15+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211780
PNG
((1S)-2,2-dimethyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimet...)
Show SMILES CC(C)(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:4:6:8.9:11,THB:17:18:8.9:11,12:11:8.9:6.18,19:18:8.9:11|
Show InChI InChI=1S/C19H34O/c1-17(2,3)16(20)15-12-8-9-13-14(12)18(4,5)10-7-11-19(13,15)6/h12-16,20H,7-11H2,1-6H3/t12-,13+,14-,15+,16?,19-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211777
PNG
((1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)CC=C |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C18H30O/c1-5-7-14(19)16-12-8-9-13-15(12)17(2,3)10-6-11-18(13,16)4/h5,12-16,19H,1,6-11H2,2-4H3/t12-,13+,14-,15-,16+,18-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211764
PNG
((1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CCO |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H30O2/c1-16(2)8-4-9-17(3)12-6-5-11(14(12)16)15(17)13(19)7-10-18/h11-15,18-19H,4-10H2,1-3H3/t11-,12+,13+,14-,15+,17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211763
PNG
((1R)-2-chloro-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethylt...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)CCl |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C16H27ClO/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)14(16)12(18)9-17/h10-14,18H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211762
PNG
((1S)-2-chloro-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethylt...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CCl |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C16H27ClO/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)14(16)12(18)9-17/h10-14,18H,4-9H2,1-3H3/t10-,11+,12+,13-,14+,16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211782
PNG
((1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)C=C |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H28O/c1-5-13(18)15-11-7-8-12-14(11)16(2,3)9-6-10-17(12,15)4/h5,11-15,18H,1,6-10H2,2-4H3/t11-,12+,13+,14-,15+,17-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211778
PNG
((1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)CCO |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H30O2/c1-16(2)8-4-9-17(3)12-6-5-11(14(12)16)15(17)13(19)7-10-18/h11-15,18-19H,4-10H2,1-3H3/t11-,12+,13-,14-,15+,17-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211765
PNG
(CHEMBL226344 | ethyl (3S)-3-hydroxy-3-[(1R,2S,7S,8...)
Show SMILES CCOC(=O)C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:6:8:10.11:13,THB:19:20:10.11:13,14:13:10.11:8.20,21:20:10.11:13|
Show InChI InChI=1S/C19H32O3/c1-5-22-15(21)11-14(20)17-12-7-8-13-16(12)18(2,3)9-6-10-19(13,17)4/h12-14,16-17,20H,5-11H2,1-4H3/t12-,13+,14-,16-,17+,19-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211753
PNG
((1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CC=C |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C18H30O/c1-5-7-14(19)16-12-8-9-13-15(12)17(2,3)10-6-11-18(13,16)4/h5,12-16,19H,1,6-11H2,2-4H3/t12-,13+,14+,15-,16+,18-/m0/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211739
PNG
((1R)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethylt...)
Show SMILES CC(C)[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:3:5:7.8:10,THB:16:17:7.8:10,11:10:7.8:5.17,18:17:7.8:10|
Show InChI InChI=1S/C18H32O/c1-11(2)16(19)15-12-7-8-13-14(12)17(3,4)9-6-10-18(13,15)5/h11-16,19H,6-10H2,1-5H3/t12-,13+,14-,15+,16+,18-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211741
PNG
((1S)-2-methyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethylt...)
Show SMILES CC(C)[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:3:5:7.8:10,THB:16:17:7.8:10,11:10:7.8:5.17,18:17:7.8:10|
Show InChI InChI=1S/C18H32O/c1-11(2)16(19)15-12-7-8-13-14(12)17(3,4)9-6-10-18(13,15)5/h11-16,19H,6-10H2,1-5H3/t12-,13+,14-,15+,16-,18-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211749
PNG
(CHEMBL390574 | ethyl (3R)-3-hydroxy-3-[(1R,2S,7S,8...)
Show SMILES CCOC(=O)C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:6:8:10.11:13,THB:19:20:10.11:13,14:13:10.11:8.20,21:20:10.11:13|
Show InChI InChI=1S/C19H32O3/c1-5-22-15(21)11-14(20)17-12-7-8-13-16(12)18(2,3)9-6-10-19(13,17)4/h12-14,16-17,20H,5-11H2,1-4H3/t12-,13+,14+,16-,17+,19-/m0/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211750
PNG
((1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:2:4:6.7:9,THB:15:16:6.7:9,10:9:6.7:4.16,17:16:6.7:9|
Show InChI InChI=1S/C17H30O/c1-5-13(18)15-11-7-8-12-14(11)16(2,3)9-6-10-17(12,15)4/h11-15,18H,5-10H2,1-4H3/t11-,12+,13-,14-,15+,17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211743
PNG
(2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyltricyclo[5.4.0....)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCO |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C16H28O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h11-14,17H,4-10H2,1-3H3/t11-,12+,13-,14+,16-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211773
PNG
((1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:1:3:5.6:8,THB:14:15:5.6:8,9:8:5.6:3.15,16:15:5.6:8|
Show InChI InChI=1S/C16H28O/c1-10(17)13-11-6-7-12-14(11)15(2,3)8-5-9-16(12,13)4/h10-14,17H,5-9H2,1-4H3/t10-,11-,12-,13+,14+,16+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211769
PNG
((1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES CC[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:2:4:6.7:9,THB:15:16:6.7:9,10:9:6.7:4.16,17:16:6.7:9|
Show InChI InChI=1S/C17H30O/c1-5-13(18)15-11-7-8-12-14(11)16(2,3)9-6-10-17(12,15)4/h11-15,18H,5-10H2,1-4H3/t11-,12+,13+,14-,15+,17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211781
PNG
((1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)C=C |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H28O/c1-5-13(18)15-11-7-8-12-14(11)16(2,3)9-6-10-17(12,15)4/h5,11-15,18H,1,6-10H2,2-4H3/t11-,12+,13-,14-,15+,17-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211766
PNG
((1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:1:3:5.6:8,THB:14:15:5.6:8,9:8:5.6:3.15,16:15:5.6:8|
Show InChI InChI=1S/C16H28O/c1-10(17)13-11-6-7-12-14(11)15(2,3)8-5-9-16(12,13)4/h10-14,17H,5-9H2,1-4H3/t10-,11+,12+,13-,14-,16-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211744
PNG
((2Z)-3-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2\C=C/CO |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H28O/c1-16(2)9-5-10-17(3)13(6-4-11-18)12-7-8-14(17)15(12)16/h4,6,12-15,18H,5,7-11H2,1-3H3/b6-4-/t12-,13+,14-,15+,17-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211748
PNG
((1R)-2,2-dimethyl-1-[(1R,2S,7S,8S,9S)-3,3,7-trimet...)
Show SMILES CC(C)(C)[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |TLB:4:6:8.9:11,THB:17:18:8.9:11,12:11:8.9:6.18,19:18:8.9:11|
Show InChI InChI=1S/C19H34O/c1-17(2,3)16(20)15-12-8-9-13-14(12)18(4,5)10-7-11-19(13,15)6/h12-16,20H,7-11H2,1-6H3/t12-,13+,14-,15+,16?,19-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211752
PNG
((2E)-3-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2\C=C\CO |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H28O/c1-16(2)9-5-10-17(3)13(6-4-11-18)12-7-8-14(17)15(12)16/h4,6,12-15,18H,5,7-11H2,1-3H3/b6-4+/t12-,13+,14-,15+,17-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211786
PNG
((1S)-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 |TLB:2:1:10.11:8,0:1:10.11:8,THB:11:12:9.13:2.3.5.4,14:13:10.11:8,5:8:10.11:13.1|
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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n/an/a 900n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211759
PNG
((3R)-3-hydroxy-3-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CC(O)=O |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H28O3/c1-16(2)7-4-8-17(3)11-6-5-10(14(11)16)15(17)12(18)9-13(19)20/h10-12,14-15,18H,4-9H2,1-3H3,(H,19,20)/t10-,11+,12+,14-,15+,17-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211761
PNG
(3-[(1R,2S,7R,8S,9R)-3,3,7-trimethyltricyclo[5.4.0....)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCCO |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H30O/c1-16(2)9-5-10-17(3)13(6-4-11-18)12-7-8-14(17)15(12)16/h12-15,18H,4-11H2,1-3H3/t12-,13+,14-,15+,17-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211756
PNG
((3S)-3-hydroxy-3-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)CC(O)=O |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H28O3/c1-16(2)7-4-8-17(3)11-6-5-10(14(11)16)15(17)12(18)9-13(19)20/h10-12,14-15,18H,4-9H2,1-3H3,(H,19,20)/t10-,11+,12-,14-,15+,17-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211760
PNG
(3-[(1R,2S,7R,8S,9R)-3,3,7-trimethyltricyclo[5.4.0....)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCC(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H28O2/c1-16(2)9-4-10-17(3)12(7-8-14(18)19)11-5-6-13(17)15(11)16/h11-13,15H,4-10H2,1-3H3,(H,18,19)/t11-,12+,13-,15+,17-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211747
PNG
((1S,3aR,4S,8aS,9S)-4,8,8-trimethyl-decahydro-1,4-m...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2C(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)10-6-5-9(11(10)14)12(15)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-,12+,15-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211746
PNG
(2-[(1R,2S,7R,8S,9R)-3,3,7-trimethyltricyclo[5.4.0....)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCCCO |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C18H32O/c1-17(2)10-6-11-18(3)14(7-4-5-12-19)13-8-9-15(18)16(13)17/h13-16,19H,4-12H2,1-3H3/t13-,14+,15-,16+,18-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211774
PNG
((2Z)-3-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2\C=C/C(O)=O |TLB:2:1:10.11:8,THB:11:12:2.3.5.4:9.13,5:8:10.11:1.13,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H26O2/c1-16(2)9-4-10-17(3)12(7-8-14(18)19)11-5-6-13(17)15(11)16/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,18,19)/b8-7-/t11-,12+,13-,15+,17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211767
PNG
((2E)-3-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2\C=C\C(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H26O2/c1-16(2)9-4-10-17(3)12(7-8-14(18)19)11-5-6-13(17)15(11)16/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,18,19)/b8-7+/t11-,12+,13-,15+,17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211754
PNG
(CHEMBL387981 | dimethyl {(3R)-3-hydroxy-3-[(1R,2S,...)
Show SMILES COP(=O)(CC[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OC |TLB:6:8:10.11:13,THB:19:20:10.11:13,14:13:10.11:8.20,21:20:10.11:13|
Show InChI InChI=1S/C19H35O4P/c1-18(2)10-6-11-19(3)14-8-7-13(16(14)18)17(19)15(20)9-12-24(21,22-4)23-5/h13-17,20H,6-12H2,1-5H3/t13-,14+,15+,16-,17+,19-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211771
PNG
(CHEMBL226513 | diethyl {(3S)-3-hydroxy-3-[(1R,2S,7...)
Show SMILES CCOP(=O)(CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@]13C)OCC |TLB:7:9:11.12:14,THB:20:21:11.12:14,15:14:11.12:9.21,22:21:11.12:14|
Show InChI InChI=1S/C21H39O4P/c1-6-24-26(23,25-7-2)14-11-17(22)19-15-9-10-16-18(15)20(3,4)12-8-13-21(16,19)5/h15-19,22H,6-14H2,1-5H3/t15-,16+,17-,18+,19+,21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211742
PNG
(CHEMBL226459 | dimethyl {(3S)-3-hydroxy-3-[(1R,2S,...)
Show SMILES COP(=O)(CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OC |TLB:6:8:10.11:13,THB:19:20:10.11:13,14:13:10.11:8.20,21:20:10.11:13|
Show InChI InChI=1S/C19H35O4P/c1-18(2)10-6-11-19(3)14-8-7-13(16(14)18)17(19)15(20)9-12-24(21,22-4)23-5/h13-17,20H,6-12H2,1-5H3/t13-,14+,15-,16-,17+,19-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211770
PNG
(CHEMBL226460 | diethyl {(3R)-3-hydroxy-3-[(1R,2S,7...)
Show SMILES CCOP(=O)(CC[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@]13C)OCC |TLB:7:9:11.12:14,THB:20:21:11.12:14,15:14:11.12:9.21,22:21:11.12:14|
Show InChI InChI=1S/C21H39O4P/c1-6-24-26(23,25-7-2)14-11-17(22)19-15-9-10-16-18(15)20(3,4)12-8-13-21(16,19)5/h15-19,22H,6-14H2,1-5H3/t15-,16+,17+,18+,19+,21-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50370965
PNG
(CHEMBL1203943)
Show SMILES CN(C)CC[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C |r,TLB:18:17:7.8:10,8:9:5.6:11.14.15.16,THB:16:17:7.8:10,4:5:7.8:10,11:10:7.8:5.17|
Show InChI InChI=1S/C18H33N/c1-17(2)10-6-11-18(3)14(9-12-19(4)5)13-7-8-15(18)16(13)17/h13-16H,6-12H2,1-5H3/t13-,14+,15-,16+,18-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211751
PNG
(CHEMBL387765 | {(E)-2-[(1R,2S,7S,8R,9S)-3,3,7-trim...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2\C=C\P(O)(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C16H27O3P/c1-15(2)8-4-9-16(3)12(7-10-20(17,18)19)11-5-6-13(16)14(11)15/h7,10-14H,4-6,8-9H2,1-3H3,(H2,17,18,19)/b10-7+/t11-,12+,13-,14+,16-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211758
PNG
(CHEMBL375252 | diethyl {(2S)-2-hydroxy-2-[(1R,2S,7...)
Show SMILES CCOP(=O)(C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OCC |TLB:6:8:10.11:13,THB:19:20:10.11:13,14:13:10.11:8.20,21:20:10.11:13|
Show InChI InChI=1S/C20H37O4P/c1-6-23-25(22,24-7-2)13-16(21)18-14-9-10-15-17(14)19(3,4)11-8-12-20(15,18)5/h14-18,21H,6-13H2,1-5H3/t14-,15+,16+,17-,18+,20-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211772
PNG
(CHEMBL375253 | diethyl {(2R)-2-hydroxy-2-[(1R,2S,7...)
Show SMILES CCOP(=O)(C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@]13C)OCC |TLB:6:8:10.11:13,THB:19:20:10.11:13,14:13:10.11:8.20,21:20:10.11:13|
Show InChI InChI=1S/C20H37O4P/c1-6-23-25(22,24-7-2)13-16(21)18-14-9-10-15-17(14)19(3,4)11-8-12-20(15,18)5/h14-18,21H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,20-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of UGT2B7 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00120
BindingDB Entry DOI: 10.7270/Q2ZG6WX8
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211757
PNG
(CHEMBL226276 | {2-[(1R,2S,7R,8S,9R)-3,3,7-trimethy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCP(O)(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C16H29O3P/c1-15(2)8-4-9-16(3)12(7-10-20(17,18)19)11-5-6-13(16)14(11)15/h11-14H,4-10H2,1-3H3,(H2,17,18,19)/t11-,12+,13-,14+,16-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211776
PNG
(CHEMBL226030 | CHEMBL376349 | {(2S)-2-hydroxy-2-[(...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2C(=O)CP(O)(O)O |TLB:2:1:10.11:8,0:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C16H29O4P/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)14(16)12(17)9-21(18,19)20/h10-11,13-14,18-21H,4-9H2,1-3H3/t10-,11+,13-,14+,16-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211783
PNG
(4-[(1R,2S,7R,8S,9R)-3,3,7-trimethyltricyclo[5.4.0....)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCCC(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C18H30O2/c1-17(2)10-5-11-18(3)13(6-4-7-15(19)20)12-8-9-14(18)16(12)17/h12-14,16H,4-11H2,1-3H3,(H,19,20)/t12-,13+,14-,16+,18-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211776
PNG
(CHEMBL226030 | CHEMBL376349 | {(2S)-2-hydroxy-2-[(...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2C(=O)CP(O)(O)O |TLB:2:1:10.11:8,0:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C16H29O4P/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)14(16)12(17)9-21(18,19)20/h10-11,13-14,18-21H,4-9H2,1-3H3/t10-,11+,13-,14+,16-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211779
PNG
(CHEMBL226078 | {(3S)-3-hydroxy-3-[(1R,2S,7S,8S,9S)...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)CCP(O)(O)=O |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H31O4P/c1-16(2)8-4-9-17(3)12-6-5-11(14(12)16)15(17)13(18)7-10-22(19,20)21/h11-15,18H,4-10H2,1-3H3,(H2,19,20,21)/t11-,12+,13-,14-,15+,17-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50511112
PNG
(CHEMBL4567446)
Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of UGT2B7 in human liver microsomes incubated for 60 mins in presence of UDPGA by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00640
BindingDB Entry DOI: 10.7270/Q2RR22VT
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211755
PNG
(CHEMBL226031 | {(3R)-3-hydroxy-3-[(1R,2S,7S,8S,9S)...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CCP(O)(O)=O |TLB:2:1:10.11:8,0:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C17H31O4P/c1-16(2)8-4-9-17(3)12-6-5-11(14(12)16)15(17)13(18)7-10-22(19,20)21/h11-15,18H,4-10H2,1-3H3,(H2,19,20,21)/t11-,12+,13+,14-,15+,17-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211768
PNG
(CHEMBL226277 | {3-[(1R,2S,7R,8S,9R)-3,3,7-trimethy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2CCCP(O)(O)=O |TLB:2:1:10.11:8,THB:11:12:9.13:2.3.5.4,5:8:10.11:13.1,14:13:10.11:8,0:1:10.11:8|
Show InChI InChI=1S/C17H31O3P/c1-16(2)9-5-10-17(3)13(6-4-11-21(18,19)20)12-7-8-14(17)15(12)16/h12-15H,4-11H2,1-3H3,(H2,18,19,20)/t12-,13+,14-,15+,17-/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair
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