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Compile Data Set for Download or QSAR

Found 80 hits from Dainippon Sumitomo Pharma Co., Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Translocator protein


(Homo sapiens (Human))
BDBM50442394
PNG
(CHEMBL2442940)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1cccnc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O3/c1-27(17-7-5-16(6-8-17)22(23,24)25)20(29)13-28-18-11-14(15-3-2-10-26-12-15)4-9-19(18)31-21(28)30/h2-12H,13H2,1H3
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8n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human U-87 MG cells after 1 hr by by liquid scintillation counting analysis


J Med Chem 56: 8191-5 (2013)


Article DOI: 10.1021/jm401325r
BindingDB Entry DOI: 10.7270/Q22Z1705
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50417987
PNG
(CHEMBL1672132)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417987
PNG
(CHEMBL1672132)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
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n/an/a 2.29n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50417983
PNG
(CHEMBL1672128)
Show SMILES COc1cccc2CCC(Cc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
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n/an/a 3.02n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417983
PNG
(CHEMBL1672128)
Show SMILES COc1cccc2CCC(Cc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
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n/an/a 4.68n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417983
PNG
(CHEMBL1672128)
Show SMILES COc1cccc2CCC(Cc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
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n/an/a 6.46n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417987
PNG
(CHEMBL1672132)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
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n/an/a 7.94n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50298281
PNG
(CHEMBL1091036 | N-(4-Amino-2,6-diisopropylphenyl)-...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OCCCO
Show InChI InChI=1S/C35H48N4O4/c1-24(2)29-21-27(36)22-30(25(3)4)33(29)38-34(41)37-23-35(26-10-8-11-28(20-26)42-5)14-16-39(17-15-35)31-12-6-7-13-32(31)43-19-9-18-40/h6-8,10-13,20-22,24-25,40H,9,14-19,23,36H2,1-5H3,(H2,37,38,41)
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n/an/a 18n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50417985
PNG
(CHEMBL1672130)
Show SMILES Cc1nc2cc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc2o1
Show InChI InChI=1S/C18H17N3O2/c1-11-19-16-9-13(7-8-17(16)23-11)20-18(22)21-15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H2,20,21,22)/t14-,15+/m1/s1
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n/an/a 19.9n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417986
PNG
(CHEMBL1672131)
Show SMILES CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C19H23N3O/c1-22(2)16-10-8-14(9-11-16)13-20-19(23)21-18-12-17(18)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3,(H2,20,21,23)/t17-,18+/m1/s1
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n/an/a 30.2n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417985
PNG
(CHEMBL1672130)
Show SMILES Cc1nc2cc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc2o1
Show InChI InChI=1S/C18H17N3O2/c1-11-19-16-9-13(7-8-17(16)23-11)20-18(22)21-15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H2,20,21,22)/t14-,15+/m1/s1
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n/an/a 39.8n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417984
PNG
(CHEMBL1672129)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2nonc2c1
Show InChI InChI=1S/C16H13N3O2/c20-16(11-6-7-13-15(8-11)19-21-18-13)17-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9H2,(H,17,20)/t12-,14+/m1/s1
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n/an/a 61.7n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030792
PNG
(CHEMBL3342401)
Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12
Show InChI InChI=1S/C20H14BrN5OS/c21-15-5-3-14(4-6-15)18-12-28-20-24-11-17(26(18)20)10-23-19(27)25-16-7-1-13(9-22)2-8-16/h1-8,11-12H,10H2,(H2,23,25,27)
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n/an/a 77n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50417985
PNG
(CHEMBL1672130)
Show SMILES Cc1nc2cc(NC(=O)N[C@H]3C[C@@H]3c3ccccc3)ccc2o1
Show InChI InChI=1S/C18H17N3O2/c1-11-19-16-9-13(7-8-17(16)23-11)20-18(22)21-15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H2,20,21,22)/t14-,15+/m1/s1
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n/an/a 81.3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030795
PNG
(CHEMBL3342398)
Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc4OCOc4c3)n12
Show InChI InChI=1S/C20H15BrN4O3S/c21-13-3-1-12(2-4-13)16-10-29-20-23-9-15(25(16)20)8-22-19(26)24-14-5-6-17-18(7-14)28-11-27-17/h1-7,9-10H,8,11H2,(H2,22,24,26)
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n/an/a 120n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030794
PNG
(CHEMBL3342399)
Show SMILES COc1cccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)c1
Show InChI InChI=1S/C20H17BrN4O2S/c1-27-17-4-2-3-15(9-17)24-19(26)22-10-16-11-23-20-25(16)18(12-28-20)13-5-7-14(21)8-6-13/h2-9,11-12H,10H2,1H3,(H2,22,24,26)
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n/an/a 160n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030793
PNG
(CHEMBL3342400)
Show SMILES COc1ccc(NC(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1
Show InChI InChI=1S/C20H17BrN4O2S/c1-27-17-8-6-15(7-9-17)24-19(26)22-10-16-11-23-20-25(16)18(12-28-20)13-2-4-14(21)5-3-13/h2-9,11-12H,10H2,1H3,(H2,22,24,26)
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n/an/a 190n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030798
PNG
(CHEMBL3342395)
Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccccc3)n12
Show InChI InChI=1S/C19H15BrN4OS/c20-14-8-6-13(7-9-14)17-12-26-19-22-11-16(24(17)19)10-21-18(25)23-15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H2,21,23,25)
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n/an/a 220n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50417984
PNG
(CHEMBL1672129)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2nonc2c1
Show InChI InChI=1S/C16H13N3O2/c20-16(11-6-7-13-15(8-11)19-21-18-13)17-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9H2,(H,17,20)/t12-,14+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316168
PNG
(2,6-Diisopropylphenyl{[1-(2-Methoxyphenyl)-4-(3-me...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C32H40N2O6S/c1-22(2)26-13-10-14-27(23(3)4)30(26)40-41(36,37)33-31(35)32(24-11-9-12-25(21-24)38-5)17-19-34(20-18-32)28-15-7-8-16-29(28)39-6/h7-16,21-23H,17-20H2,1-6H3,(H,33,35)
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n/an/a 330n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316169
PNG
(2,6-Dimethylphenyl{[1-(2-Methoxyphenyl)-4-(3-metho...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)NS(=O)(=O)Oc1c(C)cccc1C
Show InChI InChI=1S/C28H32N2O6S/c1-20-9-7-10-21(2)26(20)36-37(32,33)29-27(31)28(22-11-8-12-23(19-22)34-3)15-17-30(18-16-28)24-13-5-6-14-25(24)35-4/h5-14,19H,15-18H2,1-4H3,(H,29,31)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50336821
PNG
(4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide |...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1
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n/an/a 565n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030797
PNG
(CHEMBL3342396)
Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)NCc3ccccc3)n12
Show InChI InChI=1S/C20H17BrN4OS/c21-16-8-6-15(7-9-16)18-13-27-20-24-12-17(25(18)20)11-23-19(26)22-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H2,22,23,26)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316156
PNG
(2,6-Diisopropylphenyl{[1-(5-Bromopyrimidin-2-yl)-4...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ncc(Br)cn1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H35BrN4O5S/c1-19(2)24-10-7-11-25(20(3)4)26(24)39-40(36,37)33-27(35)29(21-8-6-9-23(16-21)38-5)12-14-34(15-13-29)28-31-17-22(30)18-32-28/h6-11,16-20H,12-15H2,1-5H3,(H,33,35)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316157
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-(5-pr...)
Show SMILES CCCc1cnc(nc1)N1CCC(CC1)(C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C)c1cccc(OC)c1
Show InChI InChI=1S/C32H42N4O5S/c1-7-10-24-20-33-31(34-21-24)36-17-15-32(16-18-36,25-11-8-12-26(19-25)40-6)30(37)35-42(38,39)41-29-27(22(2)3)13-9-14-28(29)23(4)5/h8-9,11-14,19-23H,7,10,15-18H2,1-6H3,(H,35,37)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316158
PNG
(2,6-Diisopropylphenyl({4-(3-Methoxyphenyl)-1-[4-(t...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1nccc(n1)C(F)(F)F)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H35F3N4O5S/c1-19(2)23-10-7-11-24(20(3)4)26(23)42-43(39,40)36-27(38)29(21-8-6-9-22(18-21)41-5)13-16-37(17-14-29)28-34-15-12-25(35-28)30(31,32)33/h6-12,15,18-20H,13-14,16-17H2,1-5H3,(H,36,38)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316159
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-(4-me...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1nccc(C)n1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H38N4O5S/c1-20(2)25-11-8-12-26(21(3)4)27(25)39-40(36,37)33-28(35)30(23-9-7-10-24(19-23)38-6)14-17-34(18-15-30)29-31-16-13-22(5)32-29/h7-13,16,19-21H,14-15,17-18H2,1-6H3,(H,33,35)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316160
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-pyrim...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ncccn1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H36N4O5S/c1-20(2)24-11-7-12-25(21(3)4)26(24)38-39(35,36)32-27(34)29(22-9-6-10-23(19-22)37-5)13-17-33(18-14-29)28-30-15-8-16-31-28/h6-12,15-16,19-21H,13-14,17-18H2,1-5H3,(H,32,34)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316161
PNG
(2,6-Diisopropylphenyl{[1-(1,3-Benzothiazol-2-yl)-4...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1nc2ccccc2s1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C32H37N3O5S2/c1-21(2)25-12-9-13-26(22(3)4)29(25)40-42(37,38)34-30(36)32(23-10-8-11-24(20-23)39-5)16-18-35(19-17-32)31-33-27-14-6-7-15-28(27)41-31/h6-15,20-22H,16-19H2,1-5H3,(H,34,36)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316162
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-(3-me...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ncccc1OC)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C31H39N3O6S/c1-21(2)25-12-8-13-26(22(3)4)28(25)40-41(36,37)33-30(35)31(23-10-7-11-24(20-23)38-5)15-18-34(19-16-31)29-27(39-6)14-9-17-32-29/h7-14,17,20-22H,15-16,18-19H2,1-6H3,(H,33,35)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316163
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-pheny...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C31H38N2O5S/c1-22(2)27-15-10-16-28(23(3)4)29(27)38-39(35,36)32-30(34)31(24-11-9-14-26(21-24)37-5)17-19-33(20-18-31)25-12-7-6-8-13-25/h6-16,21-23H,17-20H2,1-5H3,(H,32,34)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316164
PNG
(2,6-Diisopropylphenyl{[1-Benzoyl-4-(3-methoxypheny...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)C(=O)c1ccccc1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C32H38N2O6S/c1-22(2)27-15-10-16-28(23(3)4)29(27)40-41(37,38)33-31(36)32(25-13-9-14-26(21-25)39-5)17-19-34(20-18-32)30(35)24-11-7-6-8-12-24/h6-16,21-23H,17-20H2,1-5H3,(H,33,36)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316165
PNG
(2,6-Diisopropylphenyl{[1-Acetyl-4-(3-methoxyphenyl...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)C(C)=O)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H36N2O6S/c1-18(2)23-11-8-12-24(19(3)4)25(23)35-36(32,33)28-26(31)27(13-15-29(16-14-27)20(5)30)21-9-7-10-22(17-21)34-6/h7-12,17-19H,13-16H2,1-6H3,(H,28,31)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316166
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-methy...)
Show SMILES COc1cccc(c1)C1(CCN(C)CC1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H36N2O5S/c1-18(2)22-11-8-12-23(19(3)4)24(22)33-34(30,31)27-25(29)26(13-15-28(5)16-14-26)20-9-7-10-21(17-20)32-6/h7-12,17-19H,13-16H2,1-6H3,(H,27,29)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316167
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)Piperidi...)
Show SMILES COc1cccc(c1)C1(CCNCC1)C(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C25H34N2O5S/c1-17(2)21-10-7-11-22(18(3)4)23(21)32-33(29,30)27-24(28)25(12-14-26-15-13-25)19-8-6-9-20(16-19)31-5/h6-11,16-18,26H,12-15H2,1-5H3,(H,27,28)
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316170
PNG
(2-Cyclopentylphenyl{[1-(2-Methoxyphenyl)-4-(3-meth...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)NS(=O)(=O)Oc1ccccc1C1CCCC1
Show InChI InChI=1S/C31H36N2O6S/c1-37-25-13-9-12-24(22-25)31(18-20-33(21-19-31)27-15-6-8-17-29(27)38-2)30(34)32-40(35,36)39-28-16-7-5-14-26(28)23-10-3-4-11-23/h5-9,12-17,22-23H,3-4,10-11,18-21H2,1-2H3,(H,32,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316171
PNG
(2-Propylphenyl{[1-(2-Methoxyphenyl)-4-(3-methoxyph...)
Show SMILES CCCc1ccccc1OS(=O)(=O)NC(=O)C1(CCN(CC1)c1ccccc1OC)c1cccc(OC)c1
Show InChI InChI=1S/C29H34N2O6S/c1-4-10-22-11-5-7-15-26(22)37-38(33,34)30-28(32)29(23-12-9-13-24(21-23)35-2)17-19-31(20-18-29)25-14-6-8-16-27(25)36-3/h5-9,11-16,21H,4,10,17-20H2,1-3H3,(H,30,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316172
PNG
(2-Methylphenyl{[1-(2-Methoxyphenyl)-4-(3-methoxyph...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)NS(=O)(=O)Oc1ccccc1C
Show InChI InChI=1S/C27H30N2O6S/c1-20-9-4-6-13-24(20)35-36(31,32)28-26(30)27(21-10-8-11-22(19-21)33-2)15-17-29(18-16-27)23-12-5-7-14-25(23)34-3/h4-14,19H,15-18H2,1-3H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316173
PNG
(CHEMBL1093917 | Phenyl{[1-(2-Methoxyphenyl)-4-(3-m...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C26H28N2O6S/c1-32-22-12-8-9-20(19-22)26(25(29)27-35(30,31)34-21-10-4-3-5-11-21)15-17-28(18-16-26)23-13-6-7-14-24(23)33-2/h3-14,19H,15-18H2,1-2H3,(H,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316174
PNG
(CHEMBL1090605 | N-{[(2,6-Diisopropylphenyl)amino]s...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)NS(=O)(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C32H41N3O5S/c1-22(2)26-13-10-14-27(23(3)4)30(26)33-41(37,38)34-31(36)32(24-11-9-12-25(21-24)39-5)17-19-35(20-18-32)28-15-7-8-16-29(28)40-6/h7-16,21-23,33H,17-20H2,1-6H3,(H,34,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316175
PNG
(CHEMBL1095560 | N-(2,6-Diisopropylphenyl)-1-(2-met...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)C(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C32H40N2O3/c1-22(2)26-13-10-14-27(23(3)4)30(26)33-31(35)32(24-11-9-12-25(21-24)36-5)17-19-34(20-18-32)28-15-7-8-16-29(28)37-6/h7-16,21-23H,17-20H2,1-6H3,(H,33,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50316177
PNG
(2,6-Diisopropylphenyl{[4-(3-Methoxyphenyl)-1-pyrim...)
Show SMILES COc1cccc(c1)C1(CCN(CC1)c1ncccn1)C(=O)N(C)S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H38N4O5S/c1-21(2)25-12-8-13-26(22(3)4)27(25)39-40(36,37)33(5)28(35)30(23-10-7-11-24(20-23)38-6)14-18-34(19-15-30)29-31-16-9-17-32-29/h7-13,16-17,20-22H,14-15,18-19H2,1-6H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030813
PNG
(CHEMBL3355142)
Show SMILES Cc1cnc2scc(-c3ccc(C)cc3)n12
Show InChI InChI=1S/C13H12N2S/c1-9-3-5-11(6-4-9)12-8-16-13-14-7-10(2)15(12)13/h3-8H,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030796
PNG
(CHEMBL3342397)
Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)NC3CCCCC3)n12
Show InChI InChI=1S/C19H21BrN4OS/c20-14-8-6-13(7-9-14)17-12-26-19-22-11-16(24(17)19)10-21-18(25)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5,10H2,(H2,21,23,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030800
PNG
(CHEMBL3342393)
Show SMILES Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3cccc(Cl)c3)n12
Show InChI InChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030791
PNG
(CHEMBL3342402)
Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12
Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (human))
BDBM50030801
PNG
(CHEMBL3342392)
Show SMILES Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3ccccc3)n12
Show InChI InChI=1S/C21H19N3OS/c1-15-7-9-17(10-8-15)19-14-26-21-23-13-18(24(19)21)20(25)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins


ACS Med Chem Lett 5: 1119-23 (2014)


Article DOI: 10.1021/ml500247w
BindingDB Entry DOI: 10.7270/Q2GM88W5
More data for this
Ligand-Target Pair
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