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65 similar compounds to monomer 50414647

Compile data set for download or QSAR
Wt: 400.6
BDBM20164
Purchase
Wt: 400.6
BDBM20174
Purchase
Wt: 402.6
BDBM20175
Purchase
Wt: 402.6
BDBM20176
Purchase
Wt: 402.6
BDBM20177
Purchase
Wt: 402.6
BDBM20178
Wt: 402.6
BDBM20179
Wt: 402.6
BDBM20180
Wt: 402.6
BDBM20181
Purchase
Wt: 402.6
BDBM20182
Purchase
Wt: 402.6
BDBM20183
Purchase
Wt: 418.6
BDBM20184
Wt: 386.6
BDBM20192
Purchase
Wt: 402.6
BDBM23838
Wt: 290.4
BDBM50009437
Displayed 1 to 15 (of 65 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 20164,20174,20175,20176,20177,20178,20179,20180,20181,20182,20183,20184,20192,23838,50009437   
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
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50009437
PNG
(10-Hydroxymethyl-13-methyl-2,3,6,7,8,9,10,11,12,13...)
Show SMILES CC12CCC3C(CCC4=CCCCC34CO)C1CCC2O
Show InChI InChI=1S/C19H30O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-17,20-21H,2-3,5-12H2,1H3
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170n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1


J Med Chem 34: 2496-504 (1991)


Article DOI: 10.1021/jm00112a028
BindingDB Entry DOI: 10.7270/Q2MG7Q45
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20176
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3S)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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250n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 291-6 (2003)


Article DOI: 10.1124/jpet.103.052852
BindingDB Entry DOI: 10.7270/Q2JD4VCH
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20176
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3S)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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490n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 291-6 (2003)


Article DOI: 10.1124/jpet.103.052852
BindingDB Entry DOI: 10.7270/Q2JD4VCH
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20175
PNG
((1S,2R,5S,10S,11S,14S,15S)-14-[(2S)-2-hydroxy-6-me...)
Show SMILES CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 470n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20176
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3S)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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n/an/an/an/an/an/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a 325n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20178
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R,4S)-4-hydroxy-6...)
Show SMILES CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)14-21(29)15-18(3)23-8-9-24-22-7-6-19-16-20(28)10-12-26(19,4)25(22)11-13-27(23,24)5/h6,17-18,20-25,28-29H,7-16H2,1-5H3/t18-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/an/a 5.90E+3n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20179
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R,4R)-4-hydroxy-6...)
Show SMILES CC(C)C[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)14-21(29)15-18(3)23-8-9-24-22-7-6-19-16-20(28)10-12-26(19,4)25(22)11-13-27(23,24)5/h6,17-18,20-25,28-29H,7-16H2,1-5H3/t18-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/an/an/an/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20180
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-hydroxy-6...)
Show SMILES CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
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n/an/an/an/a 130n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20181
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-hydroxy-6...)
Show SMILES CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25-,26+,27-/m1/s1
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n/an/an/an/a 220n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 1.16E+3n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20183
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R,6R)-7-hydroxy-6...)
Show SMILES C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/an/a 250n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20184
PNG
((2R)-2-[(2R)-2-[(1S,2R,5S,10S,11S,14R,15R)-5-hydro...)
Show SMILES C[C@H](C[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O3/c1-17(14-19(16-28)25(2,3)30)22-8-9-23-21-7-6-18-15-20(29)10-12-26(18,4)24(21)11-13-27(22,23)5/h6,17,19-24,28-30H,7-16H2,1-5H3/t17-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/an/an/an/an/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/an/an/an/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM23838
PNG
((2R,5S,14S,16R)-14-[(2S,3R)-3-hydroxy-6-methylhept...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CCC2C1[C@H](C)CC1C2CC=C2C[C@@H](O)CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-16(2)6-11-25(29)18(4)21-9-10-23-22-8-7-19-15-20(28)12-13-27(19,5)24(22)14-17(3)26(21)23/h7,16-18,20-26,28-29H,6,8-15H2,1-5H3/t17-,18+,20+,21-,22?,23?,24?,25-,26?,27+/m1/s1
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n/an/a 1.00E+5n/an/an/an/a7.037



University of Tokyo



Assay Description
The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...


Bioorg Med Chem 16: 4272-85 (2008)


Article DOI: 10.1016/j.bmc.2008.02.078
BindingDB Entry DOI: 10.7270/Q28S4N7J
More data for this
Ligand-Target Pair
Cytochrome P450 125 (CYP125)


(Mycobacterium tuberculosis)
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 110n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 340n/an/an/an/an/a



Manchester Interdisciplinary Biocentre



Assay Description
Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...


J Biol Chem 285: 38270-82 (2010)


Article DOI: 10.1074/jbc.M110.164293
BindingDB Entry DOI: 10.7270/Q2251GR0
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 1.75E+5n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 2.02E+5n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
OSBP-related protein 4 (ORP4L)


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/an/a 17n/an/an/a7.420



Dalhousie University



Assay Description
Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 μl of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol)...


J Biol Chem 289: 15705-17 (2014)


Article DOI: 10.1074/jbc.M114.571216
BindingDB Entry DOI: 10.7270/Q2N29VTQ
More data for this
Ligand-Target Pair
OSBP-related protein 4 (ORP4L)


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 68n/an/an/a7.420



Dalhousie University



Assay Description
Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 μl of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol)...


J Biol Chem 289: 15705-17 (2014)


Article DOI: 10.1074/jbc.M114.571216
BindingDB Entry DOI: 10.7270/Q2N29VTQ
More data for this
Ligand-Target Pair
OSBP-related protein 4 (ORP4S)


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/an/a 23n/an/an/a7.420



Dalhousie University



Assay Description
Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 μl of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol)...


J Biol Chem 289: 15705-17 (2014)


Article DOI: 10.1074/jbc.M114.571216
BindingDB Entry DOI: 10.7270/Q2N29VTQ
More data for this
Ligand-Target Pair
OSBP-related protein 4 (ORP4S)


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/an/a 60n/an/an/a7.420



Dalhousie University



Assay Description
Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 μl of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol)...


J Biol Chem 289: 15705-17 (2014)


Article DOI: 10.1074/jbc.M114.571216
BindingDB Entry DOI: 10.7270/Q2N29VTQ
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50009437
PNG
(10-Hydroxymethyl-13-methyl-2,3,6,7,8,9,10,11,12,13...)
Show SMILES CC12CCC3C(CCC4=CCCCC34CO)C1CCC2O
Show InChI InChI=1S/C19H30O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-17,20-21H,2-3,5-12H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1


J Med Chem 34: 2496-504 (1991)


Article DOI: 10.1021/jm00112a028
BindingDB Entry DOI: 10.7270/Q2MG7Q45
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a>1.50E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand ...


J Nat Prod 68: 1247-52 (2005)


Article DOI: 10.1021/np050182g
BindingDB Entry DOI: 10.7270/Q2GH9HQ5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 286n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at LXRbeta ligand binding domain (unknown origin) by FRET based SRC1 recruitment assay


Bioorg Med Chem Lett 19: 2009-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.039
BindingDB Entry DOI: 10.7270/Q20C4VNS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfected with Gal4-LBD after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 2009-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.039
BindingDB Entry DOI: 10.7270/Q20C4VNS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-beta


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Niemann-Pick C1-like protein 1


(Homo sapiens (Human))
BDBM20176
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3S)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to FLAG/tGFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as localization after 24 hrs by fluoresce...


Bioorg Med Chem Lett 24: 3480-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.064
BindingDB Entry DOI: 10.7270/Q2HX1F8X
More data for this
Ligand-Target Pair
Niemann-Pick C1-like protein 1


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to FLAG/tGFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as localization after 24 hrs by fluoresce...


Bioorg Med Chem Lett 24: 3480-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.064
BindingDB Entry DOI: 10.7270/Q2HX1F8X
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a>1.50E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligan...


J Nat Prod 68: 1247-52 (2005)


Article DOI: 10.1021/np050182g
BindingDB Entry DOI: 10.7270/Q2GH9HQ5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity against LXR alpha transiently transfected in HEK293 cells


Bioorg Med Chem Lett 16: 1638-42 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.015
BindingDB Entry DOI: 10.7270/Q21J99B2
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay


Bioorg Med Chem Lett 19: 2009-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.039
BindingDB Entry DOI: 10.7270/Q20C4VNS
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LXRalpha


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding to human LXRbeta


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 117n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha coexpressed in African green monkey CV1 cells by Gal4 responsive reporter gene assay


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 168n/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta coexpressed in African green monkey CV1 cells by Gal4 responsive reporter gene assay


J Med Chem 59: 3264-71 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02029
BindingDB Entry DOI: 10.7270/Q2XP76V7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
Sterol regulatory element-binding protein 2


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of SREBP2 activation expressed in CHO-K1 cells cotransfected with pSRE-Luc plasmid assessed as inhibition of luciferase expression after 2...


J Med Chem 54: 4923-7 (2011)


Article DOI: 10.1021/jm200304y
BindingDB Entry DOI: 10.7270/Q2NG4R0Z
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cofactor association with recombinant liver X receptor-alpha


Bioorg Med Chem Lett 15: 2824-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.100
BindingDB Entry DOI: 10.7270/Q29G5NM2
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: increase in Daunorubicn intracellular accumulation (Daunorubicin: ? uM) in NIH-G185 cells


Biochem Biophys Res Commun 276: 909-16 (2000)


Article DOI: 10.1006/bbrc.2000.3554
BindingDB Entry DOI: 10.7270/Q2862HR0
More data for this
Ligand-Target Pair
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against HMG-CoA reductase transcription in HepG2 cells


J Med Chem 37: 2343-51 (1994)


Article DOI: 10.1021/jm00041a013
BindingDB Entry DOI: 10.7270/Q2JH3K72
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/a>4.27E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20174
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2R)-3,3-di...)
Show SMILES C[C@H](CC[C@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24-,26+,27-/m1/s1
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n/an/an/an/a 670n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20164
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-4-[(2S)-3,3-di...)
Show SMILES C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
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n/an/an/an/a 460n/an/a7.522



Dartmouth College



Assay Description
The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding...


J Med Chem 44: 886-97 (2001)


Article DOI: 10.1021/jm0004749
BindingDB Entry DOI: 10.7270/Q2Z899P5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM20177
PNG
((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...)
Show SMILES CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha-LBD assessed as recruitment of co-activator peptide after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 23: 4185-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.030
BindingDB Entry DOI: 10.7270/Q2NK3GF4
More data for this
Ligand-Target Pair
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