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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'damre' and Initial = 'a'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
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n/an/a 2n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426742
PNG
(CHEMBL2322167)
Show SMILES CC(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C16H18N4O2/c1-16(2,3)9-22-13-5-4-10(6-11(13)8-17)12-7-14(21)20-15(18)19-12/h4-7H,9H2,1-3H3,(H3,18,19,20,21)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426763
PNG
(CHEMBL2322147)
Show SMILES CC(C)(COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1)C(O)=O
Show InChI InChI=1S/C16H16N4O4/c1-16(2,14(22)23)8-24-12-4-3-9(5-10(12)7-17)11-6-13(21)20-15(18)19-11/h3-6H,8H2,1-2H3,(H,22,23)(H3,18,19,20,21)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426761
PNG
(CHEMBL2322149)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(cc2)C(O)=O)c(c1)C#N
Show InChI InChI=1S/C19H14N4O4/c20-9-14-7-13(15-8-17(24)23-19(21)22-15)5-6-16(14)27-10-11-1-3-12(4-2-11)18(25)26/h1-8H,10H2,(H,25,26)(H3,21,22,23,24)
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n/an/a 5n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426769
PNG
(CHEMBL2322169)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N
Show InChI InChI=1S/C18H13FN4O2/c19-14-4-1-11(2-5-14)10-25-16-6-3-12(7-13(16)9-20)15-8-17(24)23-18(21)22-15/h1-8H,10H2,(H3,21,22,23,24)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426768
PNG
(CHEMBL2322170)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H13F3N4O2/c20-19(21,22)14-4-2-1-3-12(14)10-28-16-6-5-11(7-13(16)9-23)15-8-17(27)26-18(24)25-15/h1-8H,10H2,(H3,24,25,26,27)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426760
PNG
(CHEMBL2322150)
Show SMILES COC(=O)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1
Show InChI InChI=1S/C20H16N4O4/c1-27-19(26)13-4-2-12(3-5-13)11-28-17-7-6-14(8-15(17)10-21)16-9-18(25)24-20(22)23-16/h2-9H,11H2,1H3,(H3,22,23,24,25)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426759
PNG
(CHEMBL2322151)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(13.46,-38.13,;14.8,-37.36,;16.13,-38.13,;17.47,-37.36,;17.46,-35.81,;16.13,-35.05,;16.12,-33.51,;14.8,-35.82,;18.8,-38.13,;20.12,-37.35,;21.46,-38.12,;21.46,-39.66,;22.8,-40.43,;22.8,-41.97,;24.14,-42.74,;24.13,-44.27,;25.46,-45.04,;26.8,-44.27,;26.8,-42.73,;25.46,-41.95,;28.14,-45.04,;28.13,-46.58,;29.47,-44.27,;20.13,-40.44,;18.8,-39.67,;20.14,-41.97,;20.14,-43.51,)|
Show InChI InChI=1S/C19H20N4O4/c20-9-14-7-13(15-8-17(24)23-19(21)22-15)5-6-16(14)27-10-11-1-3-12(4-2-11)18(25)26/h5-8,11-12H,1-4,10H2,(H,25,26)(H3,21,22,23,24)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071033
PNG
(CHEMBL3409721)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1
Show InChI InChI=1S/C19H26N6/c1-2-4-11-25(10-3-1)19-20-15-7-5-6-14(15)18(22-19)21-17-12-16(23-24-17)13-8-9-13/h12-13H,1-11H2,(H2,20,21,22,23,24)
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Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436848
PNG
(CHEMBL2403617)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H19FN4O3S2/c1-11(2)18(21(29)30)27-19(28)20-24-10-17(31-20)12-3-6-14(7-4-12)25-22-26-15-8-5-13(23)9-16(15)32-22/h3-11,18H,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t18-/m0/s1
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Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426764
PNG
(CHEMBL2322146)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Show InChI InChI=1S/C18H20N4O2/c19-10-14-8-13(15-9-17(23)22-18(20)21-15)6-7-16(14)24-11-12-4-2-1-3-5-12/h6-9,12H,1-5,11H2,(H3,20,21,22,23)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426747
PNG
(CHEMBL2322162)
Show SMILES COC(=O)C1CCC(COc2ccc(cc2C#N)-c2ccnc(N)n2)CC1 |(24.48,-22.25,;25.8,-21.48,;25.8,-19.96,;27.12,-19.19,;24.47,-19.2,;23.13,-19.97,;21.8,-19.21,;21.8,-17.66,;20.46,-16.9,;20.46,-15.36,;19.12,-14.59,;19.12,-13.04,;17.78,-12.28,;16.45,-13.05,;16.45,-14.59,;17.79,-15.36,;17.8,-16.9,;17.8,-18.44,;15.12,-12.28,;15.12,-10.73,;13.78,-9.97,;12.45,-10.74,;12.45,-12.28,;11.11,-13.05,;13.79,-13.05,;23.12,-16.89,;24.46,-17.65,)|
Show InChI InChI=1S/C20H22N4O3/c1-26-19(25)14-4-2-13(3-5-14)12-27-18-7-6-15(10-16(18)11-21)17-8-9-23-20(22)24-17/h6-10,13-14H,2-5,12H2,1H3,(H2,22,23,24)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426746
PNG
(CHEMBL2322163)
Show SMILES Nc1nccc(n1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(11.11,-13.05,;12.45,-12.28,;12.45,-10.74,;13.78,-9.97,;15.12,-10.73,;15.12,-12.28,;13.79,-13.05,;16.45,-13.05,;17.78,-12.28,;19.12,-13.04,;19.12,-14.59,;20.46,-15.36,;20.46,-16.9,;21.8,-17.66,;21.8,-19.21,;23.13,-19.97,;24.47,-19.2,;24.46,-17.65,;23.12,-16.89,;25.8,-19.96,;25.8,-21.48,;27.12,-19.19,;17.79,-15.36,;16.45,-14.59,;17.8,-16.9,;17.8,-18.44,)|
Show InChI InChI=1S/C19H20N4O3/c20-10-15-9-14(16-7-8-22-19(21)23-16)5-6-17(15)26-11-12-1-3-13(4-2-12)18(24)25/h5-9,12-13H,1-4,11H2,(H,24,25)(H2,21,22,23)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426744
PNG
(CHEMBL2322165)
Show SMILES CCC(CC)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C17H20N4O2/c1-3-11(4-2)10-23-15-6-5-12(7-13(15)9-18)14-8-16(22)21-17(19)20-14/h5-8,11H,3-4,10H2,1-2H3,(H3,19,20,21,22)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426767
PNG
(CHEMBL2322171)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H12F4N4O2/c20-13-3-1-11(14(6-13)19(21,22)23)9-29-16-4-2-10(5-12(16)8-24)15-7-17(28)27-18(25)26-15/h1-7H,9H2,(H3,25,26,27,28)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426743
PNG
(CHEMBL2322166)
Show SMILES CC(C)C(C)Oc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C16H18N4O2/c1-9(2)10(3)22-14-5-4-11(6-12(14)8-17)13-7-15(21)20-16(18)19-13/h4-7,9-10H,1-3H3,(H3,18,19,20,21)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426762
PNG
(CHEMBL2322148)
Show SMILES COC(=O)C(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C17H18N4O4/c1-17(2,15(23)24-3)9-25-13-5-4-10(6-11(13)8-18)12-7-14(22)21-16(19)20-12/h4-7H,9H2,1-3H3,(H3,19,20,21,22)
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Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436846
PNG
(CHEMBL2403620)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21ClN4O4S/c1-12(2)18(21(29)30)27-19(28)20-24-11-17(32-20)13-7-9-14(10-8-13)25-22(31)26-16-6-4-3-5-15(16)23/h3-12,18H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/t18-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426741
PNG
(CHEMBL2322168)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2)c(c1)C#N
Show InChI InChI=1S/C18H14N4O2/c19-10-14-8-13(15-9-17(23)22-18(20)21-15)6-7-16(14)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H3,20,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426765
PNG
(CHEMBL2322145)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCC2)c(c1)C#N
Show InChI InChI=1S/C16H16N4O2/c17-8-12-6-11(13-7-15(21)20-16(18)19-13)4-5-14(12)22-9-10-2-1-3-10/h4-7,10H,1-3,9H2,(H3,18,19,20,21)
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n/an/a 18n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426758
PNG
(CHEMBL2322152)
Show SMILES COC(=O)C1CCC(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)CC1 |(39.78,-47.2,;41.12,-46.43,;41.12,-44.89,;42.45,-44.12,;39.78,-44.12,;38.44,-44.89,;37.12,-44.13,;37.12,-42.59,;35.79,-41.82,;35.78,-40.28,;34.45,-39.52,;34.44,-37.97,;33.1,-37.21,;31.78,-37.98,;31.78,-39.52,;33.11,-40.29,;33.12,-41.83,;33.12,-43.37,;30.45,-37.21,;30.44,-35.66,;29.11,-34.9,;29.1,-33.36,;27.78,-35.67,;27.78,-37.21,;26.44,-37.98,;29.11,-37.98,;38.44,-41.81,;39.78,-42.58,)|
Show InChI InChI=1S/C20H22N4O4/c1-27-19(26)13-4-2-12(3-5-13)11-28-17-7-6-14(8-15(17)10-21)16-9-18(25)24-20(22)23-16/h6-9,12-13H,2-5,11H2,1H3,(H3,22,23,24,25)
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n/an/a 19n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426766
PNG
(CHEMBL2322144)
Show SMILES CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)17-7-4-14(5-8-17)13-28-19-9-6-15(10-16(19)12-23)18-11-20(27)26-21(24)25-18/h4-11H,13H2,1-3H3,(H3,24,25,26,27)
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n/an/a 19n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436845
PNG
(CHEMBL2403621)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-13(2)20(23(30)31)28-21(29)22-25-12-19(33-22)16-6-9-17(10-7-16)26-24(32)27-18-8-5-14(3)15(4)11-18/h5-13,20H,1-4H3,(H,28,29)(H,30,31)(H2,26,27,32)/t20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50402272
PNG
(CHEMBL2205509)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C15H16N4O2/c1-9(2)8-21-13-4-3-10(5-11(13)7-16)12-6-14(20)19-15(17)18-12/h3-6,9H,8H2,1-2H3,(H3,17,18,19,20)
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n/an/a 20n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 22: 7543-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.029
BindingDB Entry DOI: 10.7270/Q2445NNH
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071014
PNG
(CHEMBL3409716)
Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C19H26N6/c1-12-7-9-25(10-8-12)19-20-15-4-2-3-14(15)18(22-19)21-17-11-16(23-24-17)13-5-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436847
PNG
(CHEMBL2403619)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O4S/c1-12(2)18(21(32)33)30-19(31)20-27-11-17(35-20)13-6-8-15(9-7-13)28-22(34)29-16-5-3-4-14(10-16)23(24,25)26/h3-12,18H,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436844
PNG
(CHEMBL2403622)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H26N4O5S/c1-17(2)24(27(34)35)32-25(33)26-29-16-23(38-26)18-12-14-19(15-13-18)30-28(36)31-21-10-6-7-11-22(21)37-20-8-4-3-5-9-20/h3-17,24H,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/t24-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436842
PNG
(CHEMBL2403624)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H29N3O4S/c1-15(2)21(25(32)33)29-23(31)24-27-14-20(34-24)16-8-12-19(13-9-16)28-22(30)17-6-10-18(11-7-17)26(3,4)5/h6-15,21H,1-5H3,(H,28,30)(H,29,31)(H,32,33)/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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n/an/a 30n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 22: 7543-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.029
BindingDB Entry DOI: 10.7270/Q2445NNH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071057
PNG
(CHEMBL3409713)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1
Show InChI InChI=1S/C18H24N6/c1-2-9-24(10-3-1)18-19-14-6-4-5-13(14)17(21-18)20-16-11-15(22-23-16)12-7-8-12/h11-12H,1-10H2,(H2,19,20,21,22,23)
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n/an/a 32n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50386149
PNG
(CHEMBL2042351)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22FN3O3S/c1-14(2)22(24(31)32)29-23(30)17-5-3-15(4-6-17)16-7-10-19(11-8-16)27-25-28-20-12-9-18(26)13-21(20)33-25/h3-14,22H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071036
PNG
(CHEMBL3409718)
Show SMILES CCOC(=O)C1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C21H28N6O2/c1-2-29-20(28)14-8-10-27(11-9-14)21-22-16-5-3-4-15(16)19(24-21)23-18-12-17(25-26-18)13-6-7-13/h12-14H,2-11H2,1H3,(H2,22,23,24,25,26)
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n/an/a 35n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436841
PNG
(CHEMBL2403625)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)CCC2CCCCC2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H31N3O4S/c1-15(2)21(24(30)31)27-22(29)23-25-14-19(32-23)17-9-11-18(12-10-17)26-20(28)13-8-16-6-4-3-5-7-16/h9-12,14-16,21H,3-8,13H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t21-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071031
PNG
(CHEMBL3409723)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CC3CCC2C3)n[nH]1
Show InChI InChI=1S/C19H24N6/c1-2-14-15(3-1)20-19(25-10-11-4-7-13(25)8-11)22-18(14)21-17-9-16(23-24-17)12-5-6-12/h9,11-13H,1-8,10H2,(H2,20,21,22,23,24)
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n/an/a 41n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436839
PNG
(CHEMBL2403627)
Show SMILES CCCCc1ccc(nc1)C(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H28N4O4S/c1-4-5-6-16-7-12-19(26-13-16)22(30)28-18-10-8-17(9-11-18)20-14-27-24(34-20)23(31)29-21(15(2)3)25(32)33/h7-15,21H,4-6H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t21-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426748
PNG
(CHEMBL2322161)
Show SMILES Nc1nccc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N
Show InChI InChI=1S/C18H20N4O/c19-11-15-10-14(16-8-9-21-18(20)22-16)6-7-17(15)23-12-13-4-2-1-3-5-13/h6-10,13H,1-5,12H2,(H2,20,21,22)
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n/an/a 50n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071032
PNG
(CHEMBL3409722)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCCC2)n[nH]1
Show InChI InChI=1S/C20H28N6/c1-2-4-11-26(12-5-3-1)20-21-16-8-6-7-15(16)19(23-20)22-18-13-17(24-25-18)14-9-10-14/h13-14H,1-12H2,(H2,21,22,23,24,25)
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n/an/a 58n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436843
PNG
(CHEMBL2403623)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2Oc2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H25ClN4O5S/c1-16(2)24(27(35)36)33-25(34)26-30-15-23(39-26)17-8-11-19(12-9-17)31-28(37)32-21-13-10-18(29)14-22(21)38-20-6-4-3-5-7-20/h3-16,24H,1-2H3,(H,33,34)(H,35,36)(H2,31,32,37)/t24-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426751
PNG
(CHEMBL2322158)
Show SMILES Nc1nccc(n1)-c1ccc(OCc2ccccc2C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)15-4-2-1-3-13(15)11-27-17-6-5-12(9-14(17)10-23)16-7-8-25-18(24)26-16/h1-9H,11H2,(H2,24,25,26)
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n/an/a 60n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426755
PNG
(CHEMBL2321880)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]cn1
Show InChI InChI=1S/C15H15N3O2/c1-10(2)8-20-14-4-3-11(5-12(14)7-16)13-6-15(19)18-9-17-13/h3-6,9-10H,8H2,1-2H3,(H,17,18,19)
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n/an/a 60n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426750
PNG
(CHEMBL2322159)
Show SMILES Nc1nccc(n1)-c1ccc(OCc2ccc(F)cc2C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C19H12F4N4O/c20-14-3-1-12(15(8-14)19(21,22)23)10-28-17-4-2-11(7-13(17)9-24)16-5-6-26-18(25)27-16/h1-8H,10H2,(H2,25,26,27)
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n/an/a 80n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))		BDBM50426753
PNG
(CHEMBL2322156)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1ccnc(N)n1
Show InChI InChI=1S/C15H16N4O/c1-10(2)9-20-14-4-3-11(7-12(14)8-16)13-5-6-18-15(17)19-13/h3-7,10H,9H2,1-2H3,(H2,17,18,19)
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n/an/a 80n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436840
PNG
(CHEMBL2403626)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H25F2N3O4S/c1-12(2)17(21(30)31)27-19(29)20-25-11-16(32-20)13-3-5-15(6-4-13)26-18(28)14-7-9-22(23,24)10-8-14/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t17-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071056
PNG
(CHEMBL3409714)
Show SMILES OCC1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
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n/an/a 90n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436838
PNG
(CHEMBL2403628)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C#N)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26N4O4S/c1-15(2)21(25(33)34)30-23(32)24-28-13-20(35-24)16-7-11-19(12-8-16)29-22(31)17-5-9-18(10-6-17)26(3,4)14-27/h5-13,15,21H,1-4H3,(H,29,31)(H,30,32)(H,33,34)/t21-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071026
PNG
(CHEMBL3409728)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C19H19N5/c1-2-5-13(6-3-1)18-20-15-8-4-7-14(15)19(22-18)21-17-11-16(23-24-17)12-9-10-12/h1-3,5-6,11-12H,4,7-10H2,(H2,20,21,22,23,24)
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n/an/a 97n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436837
PNG
(CHEMBL2403629)
Show SMILES CCC(CC)(C#N)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C28H30N4O4S/c1-5-28(6-2,16-29)20-11-7-19(8-12-20)24(33)31-21-13-9-18(10-14-21)22-15-30-26(37-22)25(34)32-23(17(3)4)27(35)36/h7-15,17,23H,5-6H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t23-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...

Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50071019
PNG
(CHEMBL3409735)
Show SMILES CCOC(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1
Show InChI InChI=1S/C22H32N6O2/c1-5-30-20(29)14-8-7-11-28(13-14)21-23-16-10-6-9-15(16)19(25-21)24-18-12-17(26-27-18)22(2,3)4/h12,14H,5-11,13H2,1-4H3,(H2,23,24,25,26,27)
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n/an/a 108n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50071014
PNG
(CHEMBL3409716)
Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C19H26N6/c1-12-7-9-25(10-8-12)19-20-15-4-2-3-14(15)18(22-19)21-17-11-16(23-24-17)13-5-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,23,24)
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n/an/a 110n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolved f...

Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
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