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Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'tangirala' and Initial = 'rs'   
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
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321135
PNG
(US10174049, Example 2)
Show SMILES COc1cccc(c1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H19N5O3/c1-29-17-4-2-3-15(12-17)26-8-7-14-11-16(5-6-18(14)26)27-9-10-30-21-19(22(27)28)20(23)24-13-25-21/h2-8,11-13H,9-10H2,1H3,(H2,23,24,25)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM336120
PNG
(US9738658, Example 2)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12
Show InChI InChI=1S/C21H15F3N6O3/c22-21(23,24)33-15-3-1-2-13(9-15)29-5-4-12-8-14(10-26-18(12)29)30-6-7-32-19-16(20(30)31)17(25)27-11-28-19/h1-5,8-11H,6-7H2,(H2,25,27,28)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM351918
PNG
(4-Amino-6-(1-(3-(trifluoromethoxy)phenyl)-1H-indol...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12
Show InChI InChI=1S/C22H16F3N5O3/c23-22(24,25)33-16-3-1-2-14(11-16)29-7-6-13-10-15(4-5-17(13)29)30-8-9-32-20-18(21(30)31)19(26)27-12-28-20/h1-7,10-12H,8-9H2,(H2,26,27,28)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50203332
PNG
(CHEMBL3913908)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H30Cl2N4O5S/c1-2-38(33,34)32-13-11-31(12-14-32)21-4-6-22(7-5-21)35-16-23-17-36-26(37-23,18-30-10-9-29-19-30)24-8-3-20(27)15-25(24)28/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,26-/m1/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...

Bioorg Med Chem Lett 26: 5825-5829 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50274157
PNG
(CHEMBL4127656)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C26H28FN3O2S/c1-20(2)33(31,32)30-15-13-29(14-16-30)26-7-5-21(6-8-26)3-4-22-17-24(19-25(27)18-22)23-9-11-28-12-10-23/h3-12,17-20H,13-16H2,1-2H3/b4-3+
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...

Bioorg Med Chem Lett 28: 2270-2274 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.040
BindingDB Entry DOI: 10.7270/Q2RJ4N0B
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287311
PNG
(CHEMBL4176968)
Show SMILES CC[C@@]1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)/t27-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA ...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50274165
PNG
(CHEMBL4126996)
Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1
Show InChI InChI=1S/C26H26FN3O2S/c27-24-18-21(17-23(19-24)22-9-11-28-12-10-22)2-1-20-3-5-25(6-4-20)29-13-15-30(16-14-29)33(31,32)26-7-8-26/h1-6,9-12,17-19,26H,7-8,13-16H2/b2-1+
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...

Bioorg Med Chem Lett 28: 2270-2274 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.040
BindingDB Entry DOI: 10.7270/Q2RJ4N0B
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321161
PNG
(US10174049, Example 28 | US10385066, Example 28 | ...)
Show SMILES COc1c(Cl)cccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18ClN5O3/c1-30-19-15(23)3-2-4-17(19)28-8-7-13-11-14(5-6-16(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321161
PNG
(US10174049, Example 28 | US10385066, Example 28 | ...)
Show SMILES COc1c(Cl)cccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18ClN5O3/c1-30-19-15(23)3-2-4-17(19)28-8-7-13-11-14(5-6-16(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321161
PNG
(US10174049, Example 28 | US10385066, Example 28 | ...)
Show SMILES COc1c(Cl)cccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18ClN5O3/c1-30-19-15(23)3-2-4-17(19)28-8-7-13-11-14(5-6-16(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321169
PNG
(US10174049, Example 36 | US9738658, Example 36 | U...)
Show SMILES COc1cccc(c1Br)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18BrN5O3/c1-30-17-4-2-3-16(19(17)23)28-8-7-13-11-14(5-6-15(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321145
PNG
(US10174049, Example 12 | US9738658, Example 12 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(Cl)c3Cl)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-14-2-1-3-16(18(14)23)28-7-6-12-10-13(4-5-15(12)28)27-8-9-30-20-17(21(27)29)19(24)25-11-26-20/h1-7,10-11H,8-9H2,(H2,24,25,26)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321169
PNG
(US10174049, Example 36 | US9738658, Example 36 | U...)
Show SMILES COc1cccc(c1Br)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18BrN5O3/c1-30-17-4-2-3-16(19(17)23)28-8-7-13-11-14(5-6-15(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321155
PNG
(US10174049, Example 22 | US10385066, Example 22 | ...)
Show SMILES CCCn1ccc2cc(cc(C3CC3)c12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C21H23N5O2/c1-2-6-25-7-5-14-10-15(11-16(18(14)25)13-3-4-13)26-8-9-28-20-17(21(26)27)19(22)23-12-24-20/h5,7,10-13H,2-4,6,8-9H2,1H3,(H2,22,23,24)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321155
PNG
(US10174049, Example 22 | US10385066, Example 22 | ...)
Show SMILES CCCn1ccc2cc(cc(C3CC3)c12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C21H23N5O2/c1-2-6-25-7-5-14-10-15(11-16(18(14)25)13-3-4-13)26-8-9-28-20-17(21(26)27)19(22)23-12-24-20/h5,7,10-13H,2-4,6,8-9H2,1H3,(H2,22,23,24)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321169
PNG
(US10174049, Example 36 | US9738658, Example 36 | U...)
Show SMILES COc1cccc(c1Br)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18BrN5O3/c1-30-17-4-2-3-16(19(17)23)28-8-7-13-11-14(5-6-15(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM336140
PNG
(US9738658, Example 22)
Show SMILES CCCn1ccc2cc(cc(C3CC3)c12)N(CCO[Si](C)(C)C(C)(C)C)C(=O)c1c(Cl)ncnc1Cl
Show InChI InChI=1S/C27H36Cl2N4O2Si/c1-7-11-32-12-10-19-15-20(16-21(23(19)32)18-8-9-18)33(13-14-35-36(5,6)27(2,3)4)26(34)22-24(28)30-17-31-25(22)29/h10,12,15-18H,7-9,11,13-14H2,1-6H3
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321145
PNG
(US10174049, Example 12 | US9738658, Example 12 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(Cl)c3Cl)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-14-2-1-3-16(18(14)23)28-7-6-12-10-13(4-5-15(12)28)27-8-9-30-20-17(21(27)29)19(24)25-11-26-20/h1-7,10-11H,8-9H2,(H2,24,25,26)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321145
PNG
(US10174049, Example 12 | US9738658, Example 12 | U...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(Cl)c3Cl)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-14-2-1-3-16(18(14)23)28-7-6-12-10-13(4-5-15(12)28)27-8-9-30-20-17(21(27)29)19(24)25-11-26-20/h1-7,10-11H,8-9H2,(H2,24,25,26)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50274156
PNG
(CHEMBL4128368)
Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1
Show InChI InChI=1S/C24H21F4N3O2S/c25-22-16-19(15-21(17-22)20-7-9-29-10-8-20)2-1-18-3-5-23(6-4-18)30-11-13-31(14-12-30)34(32,33)24(26,27)28/h1-10,15-17H,11-14H2/b2-1+
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n/an/a 2n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...

Bioorg Med Chem Lett 28: 2270-2274 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.040
BindingDB Entry DOI: 10.7270/Q2RJ4N0B
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287453
PNG
(CHEMBL4163300)
Show SMILES CCC1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H25ClN2O4/c1-2-27(16-24(31)32)14-13-19-15-18(5-12-23(19)25(27)33)17-3-8-21(9-4-17)29-26(34)30-22-10-6-20(28)7-11-22/h3-12,15H,2,13-14,16H2,1H3,(H,31,32)(H2,29,30,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretre...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287389
PNG
(CHEMBL4174767)
Show SMILES CC[C@@]1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C27H25ClN2O4/c1-2-27(16-24(31)32)14-13-19-15-18(5-12-23(19)25(27)33)17-3-8-21(9-4-17)29-26(34)30-22-10-6-20(28)7-11-22/h3-12,15H,2,13-14,16H2,1H3,(H,31,32)(H2,29,30,34)/t27-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretre...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007606
PNG
(CHEMBL3238280)
Show SMILES C[C@](O)(COc1ccc(Br)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17BrN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287311
PNG
(CHEMBL4176968)
Show SMILES CC[C@@]1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)/t27-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretre...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321166
PNG
(US10174049, Example 33 | US10385066, Example 33 | ...)
Show SMILES CCc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O2/c1-2-15-5-3-4-6-18(15)28-10-9-16-13-17(7-8-19(16)28)27-11-12-30-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321166
PNG
(US10174049, Example 33 | US10385066, Example 33 | ...)
Show SMILES CCc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O2/c1-2-15-5-3-4-6-18(15)28-10-9-16-13-17(7-8-19(16)28)27-11-12-30-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321166
PNG
(US10174049, Example 33 | US10385066, Example 33 | ...)
Show SMILES CCc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O2/c1-2-15-5-3-4-6-18(15)28-10-9-16-13-17(7-8-19(16)28)27-11-12-30-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321141
PNG
(US10174049, Example 8 | US10385066, Example 8 | US...)
Show SMILES CC(C)COc1cccc(c1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C25H25N5O3/c1-16(2)14-33-20-5-3-4-18(13-20)29-9-8-17-12-19(6-7-21(17)29)30-10-11-32-24-22(25(30)31)23(26)27-15-28-24/h3-9,12-13,15-16H,10-11,14H2,1-2H3,(H2,26,27,28)
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n/an/a 2.90n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM351925
PNG
(US9796729, 8)
Show SMILES CC(C)COc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C25H25N5O3/c1-16(2)14-33-21-6-4-3-5-20(21)30-10-9-17-13-18(7-8-19(17)30)29-11-12-32-24-22(25(29)31)23(26)27-15-28-24/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,26,27,28)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321141
PNG
(US10174049, Example 8 | US10385066, Example 8 | US...)
Show SMILES CC(C)COc1cccc(c1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C25H25N5O3/c1-16(2)14-33-20-5-3-4-18(13-20)29-9-8-17-12-19(6-7-21(17)29)30-10-11-32-24-22(25(30)31)23(26)27-15-28-24/h3-9,12-13,15-16H,10-11,14H2,1-2H3,(H2,26,27,28)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287329
PNG
(CHEMBL4163009)
Show SMILES OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2cccc(c2)C(F)(F)F)cn1 |r|
Show InChI InChI=1S/C26H20F6N4O4/c27-25(28,29)13-24(10-21(37)38)7-6-14-8-15(4-5-18(14)22(24)39)19-11-34-20(12-33-19)36-23(40)35-17-3-1-2-16(9-17)26(30,31)32/h1-5,8-9,11-12H,6-7,10,13H2,(H,37,38)(H2,34,35,36,40)/t24-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA ...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287449
PNG
(CHEMBL4176181)
Show SMILES OC(=O)CC1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)16-26(15-23(33)34)13-12-19-14-18(8-11-22(19)24(26)35)17-6-9-21(10-7-17)32-25(36)31-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,33,34)(H2,31,32,36)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretre...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287310
PNG
(CHEMBL4173715)
Show SMILES OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|
Show InChI InChI=1S/C25H19F5N4O4/c26-17-4-2-15(8-18(17)27)33-23(38)34-20-11-31-19(10-32-20)14-1-3-16-13(7-14)5-6-24(22(16)37,9-21(35)36)12-25(28,29)30/h1-4,7-8,10-11H,5-6,9,12H2,(H,35,36)(H2,32,33,34,38)/t24-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA ...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50287313
PNG
(CHEMBL4168991)
Show SMILES CCC1(CC(O)=O)CCc2cc(ccc2C1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O4/c1-2-27(16-24(34)35)13-12-19-14-18(8-11-23(19)25(27)36)17-6-9-21(10-7-17)32-26(37)33-22-5-3-4-20(15-22)28(29,30)31/h3-11,14-15H,2,12-13,16H2,1H3,(H,34,35)(H2,32,33,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretre...

ACS Med Chem Lett 9: 103-108 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00450
BindingDB Entry DOI: 10.7270/Q2V127C9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007591
PNG
(CHEMBL3238292)
Show SMILES C[C@](O)(COc1ccc(cc1F)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321140
PNG
(US10174049, Example 7 | US10385066, Example 7 | US...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(OC(F)F)c3)C(=O)c12
Show InChI InChI=1S/C22H17F2N5O3/c23-22(24)32-16-3-1-2-14(11-16)28-7-6-13-10-15(4-5-17(13)28)29-8-9-31-20-18(21(29)30)19(25)26-12-27-20/h1-7,10-12,22H,8-9H2,(H2,25,26,27)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321140
PNG
(US10174049, Example 7 | US10385066, Example 7 | US...)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(OC(F)F)c3)C(=O)c12
Show InChI InChI=1S/C22H17F2N5O3/c23-22(24)32-16-3-1-2-14(11-16)28-7-6-13-10-15(4-5-17(13)28)29-8-9-31-20-18(21(29)30)19(25)26-12-27-20/h1-7,10-12,22H,8-9H2,(H2,25,26,27)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM351924
PNG
(US9796729, 7)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC(F)F)C(=O)c12
Show InChI InChI=1S/C22H17F2N5O3/c23-22(24)32-17-4-2-1-3-16(17)29-8-7-13-11-14(5-6-15(13)29)28-9-10-31-20-18(21(28)30)19(25)26-12-27-20/h1-8,11-12,22H,9-10H2,(H2,25,26,27)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM351950
PNG
(US10385066, Example 26 | US9796729, 26)
Show SMILES Cc1ccc(cn1)-n1ccc2cc(cc(C3CC3)c12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C24H22N6O2/c1-14-2-5-17(12-26-14)29-7-6-16-10-18(11-19(21(16)29)15-3-4-15)30-8-9-32-23-20(24(30)31)22(25)27-13-28-23/h2,5-7,10-13,15H,3-4,8-9H2,1H3,(H2,25,27,28)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321159
PNG
(US10174049, Example 26)
Show SMILES Cc1ccc(cn1)C1C=Cc2cc(NC(=O)OC(C)(C)C)cc(C3CC3)c12 |c:9|
Show InChI InChI=1S/C23H26N2O2/c1-14-5-6-17(13-24-14)19-10-9-16-11-18(25-22(26)27-23(2,3)4)12-20(21(16)19)15-7-8-15/h5-6,9-13,15,19H,7-8H2,1-4H3,(H,25,26)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM336144
PNG
(US9738658, Example 26)
Show SMILES Cc1ccc(cn1)-n1ccc2cc(NC(=O)OC(C)(C)C)cc(C3CC3)c12
Show InChI InChI=1S/C22H25N3O2/c1-14-5-8-18(13-23-14)25-10-9-16-11-17(24-21(26)27-22(2,3)4)12-19(20(16)25)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,24,26)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007595
PNG
(CHEMBL3233069)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50203339
PNG
(CHEMBL3922888)
Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r|
Show InChI InChI=1S/C27H30Cl2N4O5S/c28-20-1-8-25(26(29)15-20)27(18-31-10-9-30-19-31)37-17-23(38-27)16-36-22-4-2-21(3-5-22)32-11-13-33(14-12-32)39(34,35)24-6-7-24/h1-5,8-10,15,19,23-24H,6-7,11-14,16-18H2/t23-,27-/m1/s1
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...

Bioorg Med Chem Lett 26: 5825-5829 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321153
PNG
(US10174049, Example 20 | US10385066, Example 20 | ...)
Show SMILES CCOc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O3/c1-2-30-19-6-4-3-5-18(19)28-10-9-15-13-16(7-8-17(15)28)27-11-12-31-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
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GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321153
PNG
(US10174049, Example 20 | US10385066, Example 20 | ...)
Show SMILES CCOc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O3/c1-2-30-19-6-4-3-5-18(19)28-10-9-15-13-16(7-8-17(15)28)27-11-12-31-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM321153
PNG
(US10174049, Example 20 | US10385066, Example 20 | ...)
Show SMILES CCOc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O3/c1-2-30-19-6-4-3-5-18(19)28-10-9-15-13-16(7-8-17(15)28)27-11-12-31-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
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Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...

US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50274164
PNG
(CHEMBL4129721)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C25H24FN3O/c1-19(30)28-12-14-29(15-13-28)25-6-4-20(5-7-25)2-3-21-16-23(18-24(26)17-21)22-8-10-27-11-9-22/h2-11,16-18H,12-15H2,1H3/b3-2+
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...

Bioorg Med Chem Lett 28: 2270-2274 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.040
BindingDB Entry DOI: 10.7270/Q2RJ4N0B
More data for this
Ligand-Target Pair
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