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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'obrecht' and Initial = 'd'   
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))
BDBM176294
PNG
(US9688696, 9)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H25Cl2N7O/c1-15(2)33-23-20(14-27-33)28-22(30-23)16-6-8-17(9-7-16)31-10-12-32(13-11-31)24(34)29-21-18(25)4-3-5-19(21)26/h3-9,14-15H,10-13H2,1-2H3,(H,28,30)(H,29,34)
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n/an/a 6.46n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176286
PNG
(US9688696, 1)
Show SMILES Cc1ccc(Cn2ncc3nc([nH]c23)-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C29H27Cl2N7O/c1-19-5-7-20(8-6-19)18-38-28-25(17-32-38)33-27(35-28)21-9-11-22(12-10-21)36-13-15-37(16-14-36)29(39)34-26-23(30)3-2-4-24(26)31/h2-12,17H,13-16,18H2,1H3,(H,33,35)(H,34,39)
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n/an/a 8.91n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50409783
PNG
(CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...)
Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1
PDB
MMDB

KEGG

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n/an/a 12n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176337
PNG
(US9688696, 53)
Show SMILES Clc1cc(cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2n(ncc2[nH]1)C1CCCC1)N1CCCC1
Show InChI InChI=1S/C30H34Cl2N8O/c31-24-17-23(37-11-3-4-12-37)18-25(32)27(24)35-30(41)39-15-13-38(14-16-39)21-9-7-20(8-10-21)28-34-26-19-33-40(29(26)36-28)22-5-1-2-6-22/h7-10,17-19,22H,1-6,11-16H2,(H,34,36)(H,35,41)
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n/an/a 12n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176338
PNG
(US9688696, 54)
Show SMILES Clc1cc(CN2CCCC2)cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2cnn(-c3ccccc3)c2[nH]1
Show InChI InChI=1S/C32H32Cl2N8O/c33-26-18-22(21-39-12-4-5-13-39)19-27(34)29(26)37-32(43)41-16-14-40(15-17-41)24-10-8-23(9-11-24)30-36-28-20-35-42(31(28)38-30)25-6-2-1-3-7-25/h1-3,6-11,18-20H,4-5,12-17,21H2,(H,36,38)(H,37,43)
PDB

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n/an/a 13n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176339
PNG
(US9688696, 55)
Show SMILES CC(c1ccccc1)n1ncc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cc(cc1Cl)N1CCCC1
PDB

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n/an/a 15n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176340
PNG
(US9688696, 56)
Show SMILES Clc1cc(CN2CCCC2)cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2cnn(Cc3ccccc3)c2[nH]1
Show InChI InChI=1S/C33H34Cl2N8O/c34-27-18-24(21-40-12-4-5-13-40)19-28(35)30(27)38-33(44)42-16-14-41(15-17-42)26-10-8-25(9-11-26)31-37-29-20-36-43(32(29)39-31)22-23-6-2-1-3-7-23/h1-3,6-11,18-20H,4-5,12-17,21-22H2,(H,37,39)(H,38,44)
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n/an/a 17n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176341
PNG
(US9688696, 57)
Show SMILES OCc1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C29H29Cl2N5O2/c30-25-18-22(20-37)19-26(31)28(25)32-29(38)35-16-14-34(15-17-35)24-8-6-23(7-9-24)27-11-13-36(33-27)12-10-21-4-2-1-3-5-21/h1-9,11,13,18-19,37H,10,12,14-17,20H2,(H,32,38)
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n/an/a 23n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176313
PNG
(US9688696, 28)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ncn(CCc2ccccc2)n1
Show InChI InChI=1S/C27H26Cl2N6O/c28-23-7-4-8-24(29)25(23)31-27(36)34-17-15-33(16-18-34)22-11-9-21(10-12-22)26-30-19-35(32-26)14-13-20-5-2-1-3-6-20/h1-12,19H,13-18H2,(H,31,36)
PDB

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n/an/a 25n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176293
PNG
(US9688696, 8)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H26Cl2N6O/c1-16(2)33-25-22(15-28-33)29-24(30-25)17-6-8-18(9-7-17)31-10-12-32(13-11-31)23(34)14-19-20(26)4-3-5-21(19)27/h3-9,15-16H,10-14H2,1-2H3,(H,29,30)
PDB

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n/an/a 30n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176314
PNG
(US9688696, 29)
Show SMILES COc1ccc(Cn2cnc(n2)-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C27H26Cl2N6O2/c1-37-22-11-5-19(6-12-22)17-35-18-30-26(32-35)20-7-9-21(10-8-20)33-13-15-34(16-14-33)27(36)31-25-23(28)3-2-4-24(25)29/h2-12,18H,13-17H2,1H3,(H,31,36)
PDB

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n/an/a 31n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50409783
PNG
(CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...)
Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1
PDB
MMDB

KEGG

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n/an/a 31n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176315
PNG
(US9688696, 30)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ncn(CCCc2ccccc2)n1
Show InChI InChI=1S/C28H28Cl2N6O/c29-24-9-4-10-25(30)26(24)32-28(37)35-18-16-34(17-19-35)23-13-11-22(12-14-23)27-31-20-36(33-27)15-5-8-21-6-2-1-3-7-21/h1-4,6-7,9-14,20H,5,8,15-19H2,(H,32,37)
PDB

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n/an/a 32n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176316
PNG
(US9688696, 31)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nnc(CCc2ccccc2)o1
Show InChI InChI=1S/C27H25Cl2N5O2/c28-22-7-4-8-23(29)25(22)30-27(35)34-17-15-33(16-18-34)21-12-10-20(11-13-21)26-32-31-24(36-26)14-9-19-5-2-1-3-6-19/h1-8,10-13H,9,14-18H2,(H,30,35)
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n/an/a 41n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176342
PNG
(US9688696, 58)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cc(CN2CCCC2)cc1Cl
Show InChI InChI=1S/C29H34Cl2N8O/c1-19(2)39-28-25(17-32-39)33-27(35-28)21-5-7-22(8-6-21)37-11-13-38(14-12-37)29(40)34-26-23(30)15-20(16-24(26)31)18-36-9-3-4-10-36/h5-8,15-17,19H,3-4,9-14,18H2,1-2H3,(H,33,35)(H,34,40)
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n/an/a 47n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176343
PNG
(US9688696, 59)
Show SMILES OCc1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C30H31Cl2N5O2/c31-26-19-23(21-38)20-27(32)29(26)33-30(39)36-17-15-35(16-18-36)25-10-8-24(9-11-25)28-12-14-37(34-28)13-4-7-22-5-2-1-3-6-22/h1-3,5-6,8-12,14,19-20,38H,4,7,13,15-18,21H2,(H,33,39)
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n/an/a 74n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176350
PNG
(US9688696, 66)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H26F3N7O/c1-16(2)35-23-21(15-29-35)30-22(32-23)17-7-9-18(10-8-17)33-11-13-34(14-12-33)24(36)31-20-6-4-3-5-19(20)25(26,27)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,32)(H,31,36)
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n/an/a 79n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176317
PNG
(US9688696, 32)
Show SMILES CCCCn1cnc(n1)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H26Cl2N6O/c1-2-3-11-31-16-26-22(28-31)17-7-9-18(10-8-17)29-12-14-30(15-13-29)23(32)27-21-19(24)5-4-6-20(21)25/h4-10,16H,2-3,11-15H2,1H3,(H,27,32)
PDB

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n/an/a 83n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176351
PNG
(US9688696, 67)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C24H26ClN7O/c1-16(2)32-23-21(15-26-32)27-22(29-23)17-7-9-18(10-8-17)30-11-13-31(14-12-30)24(33)28-20-6-4-3-5-19(20)25/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,33)
PDB

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n/an/a 85n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176344
PNG
(US9688696, 60)
Show SMILES Clc1cc(CN2CCCC2)cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ncn(CCc2ccccc2)n1
Show InChI InChI=1S/C32H35Cl2N7O/c33-28-20-25(22-38-13-4-5-14-38)21-29(34)30(28)36-32(42)40-18-16-39(17-19-40)27-10-8-26(9-11-27)31-35-23-41(37-31)15-12-24-6-2-1-3-7-24/h1-3,6-11,20-21,23H,4-5,12-19,22H2,(H,36,42)
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n/an/a 98n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50409783
PNG
(CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...)
Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1
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n/an/a 100n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176318
PNG
(US9688696, 33)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc(CCCc2ccccc2)no1
Show InChI InChI=1S/C28H27Cl2N5O2/c29-23-9-5-10-24(30)26(23)32-28(36)35-18-16-34(17-19-35)22-14-12-21(13-15-22)27-31-25(33-37-27)11-4-8-20-6-2-1-3-7-20/h1-3,5-7,9-10,12-15H,4,8,11,16-19H2,(H,32,36)
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n/an/a 105n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176287
PNG
(US9688696, 2)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccn(CCc2ccccc2)n1
Show InChI InChI=1S/C28H27Cl2N5O/c29-24-7-4-8-25(30)27(24)31-28(36)34-19-17-33(18-20-34)23-11-9-22(10-12-23)26-14-16-35(32-26)15-13-21-5-2-1-3-6-21/h1-12,14,16H,13,15,17-20H2,(H,31,36)
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n/an/a 110n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176312
PNG
(US9688696, 27)
Show SMILES Cc1ccc(Cn2ncc3nc([nH]c23)-c2ccc(cc2)N2CCN(CC2)C(=O)Cc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C30H28Cl2N6O/c1-20-5-7-21(8-6-20)19-38-30-27(18-33-38)34-29(35-30)22-9-11-23(12-10-22)36-13-15-37(16-14-36)28(39)17-24-25(31)3-2-4-26(24)32/h2-12,18H,13-17,19H2,1H3,(H,34,35)
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n/an/a 120n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176352
PNG
(US9688696, 68)
Show SMILES Cc1ccc(Cn2ncc3nc([nH]c23)-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C30H28F3N7O/c1-20-6-8-21(9-7-20)19-40-28-26(18-34-40)35-27(37-28)22-10-12-23(13-11-22)38-14-16-39(17-15-38)29(41)36-25-5-3-2-4-24(25)30(31,32)33/h2-13,18H,14-17,19H2,1H3,(H,35,37)(H,36,41)
PDB

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n/an/a 129n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176319
PNG
(US9688696, 34)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C26H23Cl2N5O2/c27-21-7-4-8-22(28)24(21)30-26(34)33-15-13-32(14-16-33)20-11-9-19(10-12-20)25-29-23(31-35-25)17-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,30,34)
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n/an/a 141n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176320
PNG
(US9688696, 35)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nnc(Cc2ccccc2)o1
Show InChI InChI=1S/C26H23Cl2N5O2/c27-21-7-4-8-22(28)24(21)29-26(34)33-15-13-32(14-16-33)20-11-9-19(10-12-20)25-31-30-23(35-25)17-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,29,34)
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n/an/a 145n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176345
PNG
(US9688696, 61)
Show SMILES Oc1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C28H27Cl2N5O2/c29-24-18-23(36)19-25(30)27(24)31-28(37)34-16-14-33(15-17-34)22-8-6-21(7-9-22)26-11-13-35(32-26)12-10-20-4-2-1-3-5-20/h1-9,11,13,18-19,36H,10,12,14-17H2,(H,31,37)
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n/an/a 151n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176321
PNG
(US9688696, 36)
Show SMILES CCCCc1nnc(o1)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H25Cl2N5O2/c1-2-3-7-20-27-28-22(32-20)16-8-10-17(11-9-16)29-12-14-30(15-13-29)23(31)26-21-18(24)5-4-6-19(21)25/h4-6,8-11H,2-3,7,12-15H2,1H3,(H,26,31)
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n/an/a 151n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176353
PNG
(US9688696, 69)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H25Cl2N7O/c1-15(2)33-23-21(14-27-33)28-22(30-23)16-3-6-18(7-4-16)31-9-11-32(12-10-31)24(34)29-20-8-5-17(25)13-19(20)26/h3-8,13-15H,9-12H2,1-2H3,(H,28,30)(H,29,34)
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n/an/a 166n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176322
PNG
(US9688696, 37)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C25H21Cl2N5O2/c26-20-7-4-8-21(27)22(20)28-25(33)32-15-13-31(14-16-32)19-11-9-18(10-12-19)24-29-23(30-34-24)17-5-2-1-3-6-17/h1-12H,13-16H2,(H,28,33)
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n/an/a 174n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176354
PNG
(US9688696, 70)
Show SMILES Cc1ccc(Cn2ncc3nc([nH]c23)-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2ccccc2Cl)cc1
Show InChI InChI=1S/C29H28ClN7O/c1-20-6-8-21(9-7-20)19-37-28-26(18-31-37)32-27(34-28)22-10-12-23(13-11-22)35-14-16-36(17-15-35)29(38)33-25-5-3-2-4-24(25)30/h2-13,18H,14-17,19H2,1H3,(H,32,34)(H,33,38)
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n/an/a 182n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176323
PNG
(US9688696, 38)
Show SMILES CC(C)(C)c1nnc(o1)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H25Cl2N5O2/c1-23(2,3)21-28-27-20(32-21)15-7-9-16(10-8-15)29-11-13-30(14-12-29)22(31)26-19-17(24)5-4-6-18(19)25/h4-10H,11-14H2,1-3H3,(H,26,31)
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n/an/a 275n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176291
PNG
(US9688696, 6)
Show SMILES CC(c1ccccc1)n1ncn(-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C27H26Cl2N6O2/c1-19(20-6-3-2-4-7-20)35-27(37)34(18-30-35)22-12-10-21(11-13-22)32-14-16-33(17-15-32)26(36)31-25-23(28)8-5-9-24(25)29/h2-13,18-19H,14-17H2,1H3,(H,31,36)
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n/an/a 302n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176295
PNG
(US9688696, 10)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccn(Cc2ccccc2)n1
Show InChI InChI=1S/C27H25Cl2N5O/c28-23-7-4-8-24(29)26(23)30-27(35)33-17-15-32(16-18-33)22-11-9-21(10-12-22)25-13-14-34(31-25)19-20-5-2-1-3-6-20/h1-14H,15-19H2,(H,30,35)
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n/an/a 316n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176346
PNG
(US9688696, 62)
Show SMILES Oc1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C29H29Cl2N5O2/c30-25-19-24(37)20-26(31)28(25)32-29(38)35-17-15-34(16-18-35)23-10-8-22(9-11-23)27-12-14-36(33-27)13-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-12,14,19-20,37H,4,7,13,15-18H2,(H,32,38)
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n/an/a 339n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
PDB
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n/an/a 350n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176324
PNG
(US9688696, 39)
Show SMILES CC(C)(C)c1noc(n1)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H25Cl2N5O2/c1-23(2,3)21-27-20(32-28-21)15-7-9-16(10-8-15)29-11-13-30(14-12-29)22(31)26-19-17(24)5-4-6-18(19)25/h4-10H,11-14H2,1-3H3,(H,26,31)
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n/an/a 398n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176289
PNG
(US9688696, 4)
Show SMILES CCCCn1ncnc1-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H26Cl2N6O/c1-2-3-11-31-22(26-16-27-31)17-7-9-18(10-8-17)29-12-14-30(15-13-29)23(32)28-21-19(24)5-4-6-20(21)25/h4-10,16H,2-3,11-15H2,1H3,(H,28,32)
PDB

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n/an/a 407n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176325
PNG
(US9688696, 40)
Show SMILES CC(C)(C)n1cnc(n1)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H26Cl2N6O/c1-23(2,3)31-15-26-21(28-31)16-7-9-17(10-8-16)29-11-13-30(14-12-29)22(32)27-20-18(24)5-4-6-19(20)25/h4-10,15H,11-14H2,1-3H3,(H,27,32)
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n/an/a 407n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
PDB
MMDB

KEGG

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n/an/a 430n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176309
PNG
(US9688696, 24)
Show SMILES CCC(C(O)c1ccc(Cl)cc1)n1ncn(-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C29H29Cl3N6O3/c1-2-25(27(39)19-6-8-20(30)9-7-19)38-29(41)37(18-33-38)22-12-10-21(11-13-22)35-14-16-36(17-15-35)28(40)34-26-23(31)4-3-5-24(26)32/h3-13,18,25,27,39H,2,14-17H2,1H3,(H,34,40)
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n/an/a 447n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176288
PNG
(US9688696, 3)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C27H30Cl2N6O/c28-22-7-4-8-23(29)25(22)33-27(36)35-17-15-34(16-18-35)21-11-9-19(10-12-21)24-13-14-30-26(32-24)31-20-5-2-1-3-6-20/h4,7-14,20H,1-3,5-6,15-18H2,(H,33,36)(H,30,31,32)
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n/an/a 501n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50409783
PNG
(CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...)
Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1
PDB
MMDB

KEGG

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n/an/a 600n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM181674
PNG
(US9688696, 41)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccn(CCCc2ccccc2)n1
Show InChI InChI=1S/C29H29Cl2N5O/c30-25-9-4-10-26(31)28(25)32-29(37)35-20-18-34(19-21-35)24-13-11-23(12-14-24)27-15-17-36(33-27)16-5-8-22-6-2-1-3-7-22/h1-4,6-7,9-15,17H,5,8,16,18-21H2,(H,32,37)
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n/an/a 603n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176290
PNG
(US9688696, 5)
Show SMILES CCC(C(=O)c1ccc(Br)cc1)n1ncn(-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C29H27BrCl2N6O3/c1-2-25(27(39)19-6-8-20(30)9-7-19)38-29(41)37(18-33-38)22-12-10-21(11-13-22)35-14-16-36(17-15-35)28(40)34-26-23(31)4-3-5-24(26)32/h3-13,18,25H,2,14-17H2,1H3,(H,34,40)
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n/an/a 661n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176310
PNG
(US9688696, 25)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C23H26Cl2N6O2/c1-3-16(2)31-23(33)30(15-26-31)18-9-7-17(8-10-18)28-11-13-29(14-12-28)22(32)27-21-19(24)5-4-6-20(21)25/h4-10,15-16H,3,11-14H2,1-2H3,(H,27,32)
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n/an/a 741n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176327
PNG
(US9688696, 42)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ncnn1
Show InChI InChI=1S/C19H17Cl2N6O/c20-15-2-1-3-16(21)17(15)24-19(28)27-10-8-26(9-11-27)14-6-4-13(5-7-14)18-22-12-23-25-18/h1-7,12H,8-11H2,(H,24,28)
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n/an/a 741n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176328
PNG
(US9688696, 43)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1cn2ccsc2n1
Show InChI InChI=1S/C22H19Cl2N5OS/c23-17-2-1-3-18(24)20(17)26-21(30)28-10-8-27(9-11-28)16-6-4-15(5-7-16)19-14-29-12-13-31-22(29)25-19/h1-7,12-14H,8-11H2,(H,26,30)
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n/an/a 759n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM176347
PNG
(US9688696, 63)
Show SMILES COC(=O)c1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C30H29Cl2N5O3/c1-40-29(38)23-19-25(31)28(26(32)20-23)33-30(39)36-17-15-35(16-18-36)24-9-7-22(8-10-24)27-12-14-37(34-27)13-11-21-5-3-2-4-6-21/h2-10,12,14,19-20H,11,13,15-18H2,1H3,(H,33,39)
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n/an/a 759n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
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