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Compile Data Set for Download or QSAR

Found 125 hits from Dalian Institute of Chemical Physics   
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
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154561
PNG
(CHEMBL3774603)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/s2
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42n/an/an/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259839
PNG
(CHEMBL4100677)
Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O
Show InChI InChI=1S/C10H4BrN5O5/c11-5-2-3-1-4(9-12-14-15-13-9)10(18)21-8(3)6(7(5)17)16(19)20/h1-2,17H,(H,12,13,14,15)
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n/an/a 8.60n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused GPR35 in human Tango GPR35-bla U2OS cells assessed as induction of TEV protease...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259842
PNG
(CHEMBL4079816)
Show SMILES Oc1c(cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C10H4N6O7/c17-7-5(15(19)20)2-3-1-4(9-11-13-14-12-9)10(18)23-8(3)6(7)16(21)22/h1-2,17H,(H,11,12,13,14)
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n/an/a 13n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by DMR assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154561
PNG
(CHEMBL3774603)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/s2
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n/an/a 20n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259853
PNG
(CHEMBL4092954)
Show SMILES Oc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Show InChI InChI=1S/C10H4Br2N4O3/c11-5-2-3-1-4(9-13-15-16-14-9)10(18)19-8(3)6(12)7(5)17/h1-2,17H,(H,13,14,15,16)
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n/an/a 23n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by DMR assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259845
PNG
(CHEMBL4082281)
Show SMILES OC(=O)c1cc2cc(Br)c(O)c([N+]([O-])=O)c2oc1=O
Show InChI InChI=1S/C10H4BrNO7/c11-5-2-3-1-4(9(14)15)10(16)19-8(3)6(7(5)13)12(17)18/h1-2,13H,(H,14,15)
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n/an/a 31n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by DMR assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259843
PNG
(CHEMBL4081238)
Show SMILES OC(=O)c1cc2cc(Br)c(O)c(Br)c2oc1=O
Show InChI InChI=1S/C10H4Br2O5/c11-5-2-3-1-4(9(14)15)10(16)17-8(3)6(12)7(5)13/h1-2,13H,(H,14,15)
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n/an/a 56n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50130915
PNG
(CHEBI:3122 | CHEMBL1231178)
Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
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n/an/a 140n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259841
PNG
(CHEMBL4085211)
Show SMILES [O-][N+](=O)c1cc(Br)cc2cc(-c3nnn[nH]3)c(=O)oc12
Show InChI InChI=1S/C10H4BrN5O4/c11-5-1-4-2-6(9-12-14-15-13-9)10(17)20-8(4)7(3-5)16(18)19/h1-3H,(H,12,13,14,15)
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n/an/a 330n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259852
PNG
(CHEMBL4065291)
Show SMILES Brc1cc(Br)c2oc(=O)c(cc2c1)-c1nnn[nH]1
Show InChI InChI=1S/C10H4Br2N4O2/c11-5-1-4-2-6(9-13-15-16-14-9)10(17)18-8(4)7(12)3-5/h1-3H,(H,13,14,15,16)
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n/an/a 380n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259854
PNG
(CHEMBL4103143)
Show SMILES COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br
Show InChI InChI=1S/C11H6Br2N4O3/c1-19-9-6(12)3-4-2-5(10-14-16-17-15-10)11(18)20-8(4)7(9)13/h2-3H,1H3,(H,14,15,16,17)
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n/an/a 460n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259878
PNG
(CHEMBL4073902)
Show SMILES Oc1cc2oc(=O)c(cc2cc1Br)-c1nnn[nH]1
Show InChI InChI=1S/C10H5BrN4O3/c11-6-2-4-1-5(9-12-14-15-13-9)10(17)18-8(4)3-7(6)16/h1-3,16H,(H,12,13,14,15)
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n/an/a 483n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259864
PNG
(CHEMBL4093683)
Show SMILES COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
Show InChI InChI=1S/C11H5Br2NO3/c1-16-10-7(12)3-5-2-6(4-14)11(15)17-9(5)8(10)13/h2-3H,1H3
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n/an/a 590n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by DMR assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259865
PNG
(CHEMBL4066109)
Show SMILES [O-][N+](=O)c1cc(Br)cc2cc(C#N)c(=O)oc12
Show InChI InChI=1S/C10H3BrN2O4/c11-7-2-5-1-6(4-12)10(14)17-9(5)8(3-7)13(15)16/h1-3H
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n/an/a 650n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154559
PNG
(CHEMBL2151605)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H54O7/c1-9-42-30(41)33(5)17-16-32(4)18-19-35(7)22(23(32)21-33)20-24(37)29-34(6)14-13-26(43-28(40)11-10-27(38)39)31(2,3)25(34)12-15-36(29,35)8/h20,23,25-26,29H,9-19,21H2,1-8H3,(H,38,39)/t23-,25-,26-,29+,32+,33-,34-,35+,36+/s2
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n/an/a 660n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259844
PNG
(CHEMBL4105535)
Show SMILES COc1c(Br)cc2cc(C(O)=O)c(=O)oc2c1Br
Show InChI InChI=1S/C11H6Br2O5/c1-17-9-6(12)3-4-2-5(10(14)15)11(16)18-8(4)7(9)13/h2-3H,1H3,(H,14,15)
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n/an/a 750n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by DMR assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259859
PNG
(CHEMBL1830823)
Show SMILES OC(=O)c1cc2cc(Br)cc(Br)c2oc1=O
Show InChI InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259866
PNG
(CHEMBL4081445)
Show SMILES COc1c(Br)cc2cc(C#N)c(=O)oc2c1[N+]([O-])=O
Show InChI InChI=1S/C11H5BrN2O5/c1-18-10-7(12)3-5-2-6(4-13)11(15)19-9(5)8(10)14(16)17/h2-3H,1H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259856
PNG
(CHEMBL1600989)
Show SMILES OC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
Show InChI InChI=1S/C10H4Cl2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259888
PNG
(CHEMBL4084237)
Show SMILES COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O
Show InChI InChI=1S/C11H6BrN5O5/c1-21-9-6(12)3-4-2-5(10-13-15-16-14-10)11(18)22-8(4)7(9)17(19)20/h2-3H,1H3,(H,13,14,15,16)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259846
PNG
(CHEMBL4103860)
Show SMILES Oc1c(Br)cc2cc(C#N)c(=O)oc2c1Br
Show InChI InChI=1S/C10H3Br2NO3/c11-6-2-4-1-5(3-13)10(15)16-9(4)7(12)8(6)14/h1-2,14H
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n/an/a 2.89E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154558
PNG
(CHEMBL3775320)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H57NO5/c1-23(38)42-28-12-13-34(6)27(31(28,2)3)11-14-36(8)29(34)26(39)21-24-25-22-33(5,30(40)41-20-19-37(9)10)16-15-32(25,4)17-18-35(24,36)7/h21,25,27-29H,11-20,22H2,1-10H3/t25-,27-,28-,29+,32+,33-,34-,35+,36+/s2
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n/an/a 3.42E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50084040
PNG
(BAVACHININ A | Bavachinin A)
Show SMILES COc1cc2O[C@@H](CC(=O)c2cc1CC=C(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
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n/an/a 3.47E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259860
PNG
(CHEMBL4096323)
Show SMILES OC(=O)c1cc2cc(Br)cc([N+]([O-])=O)c2oc1=O
Show InChI InChI=1S/C10H4BrNO6/c11-5-1-4-2-6(9(13)14)10(15)18-8(4)7(3-5)12(16)17/h1-3H,(H,13,14)
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n/an/a 3.75E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells by DMR assay


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259858
PNG
(CHEMBL4077503)
Show SMILES OC(=O)c1cc2cc(Br)c(O)cc2oc1=O
Show InChI InChI=1S/C10H5BrO5/c11-6-2-4-1-5(9(13)14)10(15)16-8(4)3-7(6)12/h1-3,12H,(H,13,14)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154554
PNG
(CHEMBL3775391)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C34H55NO4/c1-29(2)25-10-13-34(7)27(32(25,5)12-11-26(29)37)24(36)20-22-23-21-31(4,28(38)39-19-18-35(8)9)15-14-30(23,3)16-17-33(22,34)6/h20,23,25-27,37H,10-19,21H2,1-9H3/t23-,25-,26-,27+,30+,31-,32-,33+,34+/s2
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n/an/a 3.95E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154560
PNG
(CHEMBL3775118)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C32H52O3/c1-9-35-26(34)29(5)17-16-28(4)18-19-31(7)21(22(28)20-29)10-11-24-30(6)14-13-25(33)27(2,3)23(30)12-15-32(24,31)8/h10,22-25,33H,9,11-20H2,1-8H3/t22-,23-,24+,25-,28+,29-,30-,31+,32+/s2
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n/an/a 3.99E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50084040
PNG
(BAVACHININ A | Bavachinin A)
Show SMILES COc1cc2O[C@@H](CC(=O)c2cc1CC=C(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
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n/an/a 4.31E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259884
PNG
(CHEMBL1765162)
Show SMILES O=c1oc2ccccc2cc1-c1nn[nH]n1
Show InChI InChI=1S/C10H6N4O2/c15-10-7(9-11-13-14-12-9)5-6-3-1-2-4-8(6)16-10/h1-5H,(H,11,12,13,14)
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n/an/a 5.08E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50058817
PNG
(CHEMBL1271483)
Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/s2
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n/an/a 5.61E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154562
PNG
(CHEMBL1271536)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C32H50O4/c1-9-36-26(35)29(5)15-14-28(4)16-17-31(7)20(21(28)19-29)18-22(33)25-30(6)12-11-24(34)27(2,3)23(30)10-13-32(25,31)8/h18,21,23-25,34H,9-17,19H2,1-8H3/t21-,23-,24-,25+,28+,29-,30-,31+,32+/s2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50130915
PNG
(CHEBI:3122 | CHEMBL1231178)
Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
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n/an/a 6.11E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50346605
PNG
(CHEMBL487933)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/s2
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n/an/a 6.95E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154555
PNG
(CHEMBL3775916)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(N)=O
Show InChI InChI=1/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(31)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33H,8-15,17H2,1-7H3,(H2,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/s2
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n/an/a 6.99E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154556
PNG
(CHEMBL1271200)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(N)=O)C1(C)C
Show InChI InChI=1/C32H49NO4/c1-19(34)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(35)17-20-21-18-29(5,26(33)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H2,33,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/s2
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n/an/a 7.36E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259840
PNG
(CHEMBL4078055)
Show SMILES Clc1cc(Cl)c2oc(=O)c(cc2c1)C#N
Show InChI InChI=1S/C10H3Cl2NO2/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H
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n/an/a 8.61E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154554
PNG
(CHEMBL3775391)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C34H55NO4/c1-29(2)25-10-13-34(7)27(32(25,5)12-11-26(29)37)24(36)20-22-23-21-31(4,28(38)39-19-18-35(8)9)15-14-30(23,3)16-17-33(22,34)6/h20,23,25-27,37H,10-19,21H2,1-9H3/t23-,25-,26-,27+,30+,31-,32-,33+,34+/s2
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n/an/a 9.13E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259863
PNG
(CHEMBL4085935)
Show SMILES Oc1cc2oc(=O)c(cc2cc1Br)C#N
Show InChI InChI=1S/C10H4BrNO3/c11-7-2-5-1-6(4-12)10(14)15-9(5)3-8(7)13/h1-3,13H
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n/an/a 9.33E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50346605
PNG
(CHEMBL487933)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/s2
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n/an/a 1.05E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154556
PNG
(CHEMBL1271200)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(N)=O)C1(C)C
Show InChI InChI=1/C32H49NO4/c1-19(34)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(35)17-20-21-18-29(5,26(33)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H2,33,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/s2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259886
PNG
(CHEMBL2333943)
Show SMILES OC(=O)c1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154558
PNG
(CHEMBL3775320)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H57NO5/c1-23(38)42-28-12-13-34(6)27(31(28,2)3)11-14-36(8)29(34)26(39)21-24-25-22-33(5,30(40)41-20-19-37(9)10)16-15-32(25,4)17-18-35(24,36)7/h21,25,27-29H,11-20,22H2,1-10H3/t25-,27-,28-,29+,32+,33-,34-,35+,36+/s2
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n/an/a 1.23E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259855
PNG
(CHEMBL1414071)
Show SMILES OC(=O)c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C10H5ClO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259879
PNG
(CHEMBL4062531)
Show SMILES COc1cc2oc(=O)c(cc2cc1Br)-c1nnn[nH]1
Show InChI InChI=1S/C11H7BrN4O3/c1-18-9-4-8-5(3-7(9)12)2-6(11(17)19-8)10-13-15-16-14-10/h2-4H,1H3,(H,13,14,15,16)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154555
PNG
(CHEMBL3775916)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(N)=O
Show InChI InChI=1/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(31)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33H,8-15,17H2,1-7H3,(H2,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/s2
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n/an/a 1.42E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259861
PNG
(CHEMBL4096105)
Show SMILES Brc1cc(Br)c2oc(=O)c(cc2c1)C#N
Show InChI InChI=1S/C10H3Br2NO2/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H
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n/an/a 1.49E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50154561
PNG
(CHEMBL3774603)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/s2
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n/an/a 2.04E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50154563
PNG
(CHEMBL3775913)
Show SMILES CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
Show InChI InChI=1/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,26+,27-,28-,29+,30+/s2
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n/an/a 2.08E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/s2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...


Eur J Med Chem 112: 280-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50259885
PNG
(CHEMBL4088382)
Show SMILES Clc1ccc2oc(=O)c(cc2c1)C#N
Show InChI InChI=1S/C10H4ClNO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H
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n/an/a 2.14E+4n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zapr...


J Med Chem 60: 362-372 (2017)

More data for this
Ligand-Target Pair
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