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20 similar compounds to monomer 50235303

Compile data set for download or QSAR
Wt: 384.4
BDBM50216628
Wt: 439.4
BDBM50062618
Wt: 446.5
BDBM50127718
Wt: 384.4
BDBM50127721
Wt: 432.5
BDBM50127719
Wt: 412.5
BDBM50127720
Wt: 432.5
BDBM50127722
Wt: 398.4
BDBM50127723
Wt: 356.4
BDBM50127724
Wt: 384.4
BDBM50127725
Wt: 264.3
BDBM50198772
Wt: 300.1
BDBM50198774
Wt: 436.5
BDBM50216632
Wt: 335.0
BDBM50216634
Wt: 231.2
BDBM50235304
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50216628,50062618,50127718,50127721,50127719,50127720,50127722,50127723,50127724,50127725,50198772,50198774,50216632,50216634,50235304   
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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50198774
PNG
(CHEMBL3927255)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1Br
Show InChI InChI=1S/C10H6BrNO3S/c11-6-3-5(1-2-7(6)13)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-
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165n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50198772
PNG
(CHEMBL3929569)
Show SMILES O=C(Nc1ccccc1)\C=C1/SC(=S)NC1=O
Show InChI InChI=1S/C11H8N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)/b8-6-
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472n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50216632
PNG
(CHEMBL148851)
Show SMILES CCCCc1nc(OCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C26H24N6O/c1-2-3-12-24-27-23-11-7-6-10-22(23)26(28-24)33-17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-29-31-32-30-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,29,30,31,32)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue.


Bioorg Med Chem Lett 8: 505-10 (1998)


Article DOI: 10.1016/s0960-894x(98)00058-4
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216634
PNG
(CHEMBL356655)
Show SMILES OP(O)(=O)C(Cl)c1cccc(c1)C(Cl)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O6P2/c9-7(17(11,12)13)5-2-1-3-6(4-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


Article DOI: 10.1016/s0960-894x(98)00059-6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50062618
PNG
(CHEMBL3397706)
Show SMILES COc1ccc(cc1)-c1noc2ncn(-c3ccc(cc3)C(=O)Nc3ccccn3)c(=O)c12
Show InChI InChI=1S/C24H17N5O4/c1-32-18-11-7-15(8-12-18)21-20-23(33-28-21)26-14-29(24(20)31)17-9-5-16(6-10-17)22(30)27-19-4-2-3-13-25-19/h2-14H,1H3,(H,25,27,30)
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n/an/a 18n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using chromogenic substrate S-2765 preincubated for 10 mins by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50062618
PNG
(CHEMBL3397706)
Show SMILES COc1ccc(cc1)-c1noc2ncn(-c3ccc(cc3)C(=O)Nc3ccccn3)c(=O)c12
Show InChI InChI=1S/C24H17N5O4/c1-32-18-11-7-15(8-12-18)21-20-23(33-28-21)26-14-29(24(20)31)17-9-5-16(6-10-17)22(30)27-19-4-2-3-13-25-19/h2-14H,1H3,(H,25,27,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using chromogenic substrate S-2238 by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50062618
PNG
(CHEMBL3397706)
Show SMILES COc1ccc(cc1)-c1noc2ncn(-c3ccc(cc3)C(=O)Nc3ccccn3)c(=O)c12
Show InChI InChI=1S/C24H17N5O4/c1-32-18-11-7-15(8-12-18)21-20-23(33-28-21)26-14-29(24(20)31)17-9-5-16(6-10-17)22(30)27-19-4-2-3-13-25-19/h2-14H,1H3,(H,25,27,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127718
PNG
(CHEMBL3629713)
Show SMILES C[C@@H](OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-18-14-21(15-22-16-27-28-23(18)22)24(31)29-11-8-26(9-12-29)10-13-30(17-26)25(32)33-19(2)20-6-4-3-5-7-20/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,27,28)/t19-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127719
PNG
(CHEMBL3629712)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCc2ccccc2)CC1
Show InChI InChI=1S/C25H28N4O3/c1-18-13-20(14-21-15-26-27-22(18)21)23(30)28-10-7-25(8-11-28)9-12-29(17-25)24(31)32-16-19-5-3-2-4-6-19/h2-6,13-15H,7-12,16-17H2,1H3,(H,26,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127720
PNG
(CHEMBL3629711)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1
Show InChI InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25)
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n/an/a 800n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127721
PNG
(CHEMBL3629710)
Show SMILES CC(C)OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C21H28N4O3/c1-14(2)28-20(27)25-9-6-21(13-25)4-7-24(8-5-21)19(26)16-10-15(3)18-17(11-16)12-22-23-18/h10-12,14H,4-9,13H2,1-3H3,(H,22,23)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127722
PNG
(CHEMBL3629709)
Show SMILES C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-17-12-20(13-21-14-26-27-22(17)21)23(30)28-10-8-25(9-11-28)15-29(16-25)24(31)32-18(2)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127723
PNG
(CHEMBL3629708)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OCC(C)(C)C)CC1
Show InChI InChI=1S/C22H30N4O3/c1-15-9-16(10-17-11-23-24-18(15)17)19(27)25-7-5-22(6-8-25)12-26(13-22)20(28)29-14-21(2,3)4/h9-11H,5-8,12-14H2,1-4H3,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127724
PNG
(CHEMBL3629707)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(CN(C2)C(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C19H24N4O3/c1-12-5-13(6-14-7-20-21-15(12)14)16(24)22-8-19(9-22)10-23(11-19)17(25)26-18(2,3)4/h5-7H,8-11H2,1-4H3,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127725
PNG
(CHEMBL3629706)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(12-24)6-8-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127718
PNG
(CHEMBL3629713)
Show SMILES C[C@@H](OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-18-14-21(15-22-16-27-28-23(18)22)24(31)29-11-8-26(9-12-29)10-13-30(17-26)25(32)33-19(2)20-6-4-3-5-7-20/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,27,28)/t19-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127719
PNG
(CHEMBL3629712)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCc2ccccc2)CC1
Show InChI InChI=1S/C25H28N4O3/c1-18-13-20(14-21-15-26-27-22(18)21)23(30)28-10-7-25(8-11-28)9-12-29(17-25)24(31)32-16-19-5-3-2-4-6-19/h2-6,13-15H,7-12,16-17H2,1H3,(H,26,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127720
PNG
(CHEMBL3629711)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1
Show InChI InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127721
PNG
(CHEMBL3629710)
Show SMILES CC(C)OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1
Show InChI InChI=1S/C21H28N4O3/c1-14(2)28-20(27)25-9-6-21(13-25)4-7-24(8-5-21)19(26)16-10-15(3)18-17(11-16)12-22-23-18/h10-12,14H,4-9,13H2,1-3H3,(H,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127722
PNG
(CHEMBL3629709)
Show SMILES C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-17-12-20(13-21-14-26-27-22(17)21)23(30)28-10-8-25(9-11-28)15-29(16-25)24(31)32-18(2)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127723
PNG
(CHEMBL3629708)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OCC(C)(C)C)CC1
Show InChI InChI=1S/C22H30N4O3/c1-15-9-16(10-17-11-23-24-18(15)17)19(27)25-7-5-22(6-8-25)12-26(13-22)20(28)29-14-21(2,3)4/h9-11H,5-8,12-14H2,1-4H3,(H,23,24)
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n/an/a 310n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127724
PNG
(CHEMBL3629707)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(CN(C2)C(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C19H24N4O3/c1-12-5-13(6-14-7-20-21-15(12)14)16(24)22-8-19(9-22)10-23(11-19)17(25)26-18(2,3)4/h5-7H,8-11H2,1-4H3,(H,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127725
PNG
(CHEMBL3629706)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C21H28N4O3/c1-14-9-15(10-16-11-22-23-17(14)16)18(26)24-7-5-21(12-24)6-8-25(13-21)19(27)28-20(2,3)4/h9-11H,5-8,12-13H2,1-4H3,(H,22,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...


Bioorg Med Chem Lett 25: 5352-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.035
BindingDB Entry DOI: 10.7270/Q2W37Z4R
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50198774
PNG
(CHEMBL3927255)
Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1Br
Show InChI InChI=1S/C10H6BrNO3S/c11-6-3-5(1-2-7(6)13)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-
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n/an/a 3.86E+3n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50198772
PNG
(CHEMBL3929569)
Show SMILES O=C(Nc1ccccc1)\C=C1/SC(=S)NC1=O
Show InChI InChI=1S/C11H8N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)/b8-6-
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n/an/a 1.11E+4n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50235304
PNG
(CHEMBL4091413)
Show SMILES CN[C@@H]1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H17N5/c1-13-9-3-2-6-17(7-9)12-10-4-5-14-11(10)15-8-16-12/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,14,15,16)/t9-/m1/s1
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n/an/a 1.41E+5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a...


ACS Med Chem Lett 8: 338-343 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50216628
PNG
(CHEMBL342073)
Show SMILES CCN(Cc1ccccc1-c1ccccc1)c1nc2nc3ccccc3n2s1
Show InChI InChI=1S/C23H20N4S/c1-2-26(16-18-12-6-7-13-19(18)17-10-4-3-5-11-17)23-25-22-24-20-14-8-9-15-21(20)27(22)28-23/h3-15H,2,16H2,1H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue.


Bioorg Med Chem Lett 8: 505-10 (1998)


Article DOI: 10.1016/s0960-894x(98)00058-4
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50216632
PNG
(CHEMBL148851)
Show SMILES CCCCc1nc(OCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C26H24N6O/c1-2-3-12-24-27-23-11-7-6-10-22(23)26(28-24)33-17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-29-31-32-30-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,29,30,31,32)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory effect in cGMP-inhibited Phosphodiesterase 3 (PDE 3) isolated from guinea pig ventricular tissue.


Bioorg Med Chem Lett 8: 505-10 (1998)


Article DOI: 10.1016/s0960-894x(98)00058-4
More data for this
Ligand-Target Pair