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7 similar compounds to monomer 50089541

Compile data set for download or QSAR
Wt: 470.5
BDBM50020657
Wt: 484.5
BDBM50020658
Wt: 446.5
BDBM50020662
Wt: 428.5
BDBM50020664
Wt: 398.4
BDBM50127752
Wt: 475.5
BDBM50127757
Wt: 285.3
BDBM64986

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50020657,50020658,50020662,50020664,50127752,50127757,64986   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50127757
PNG
(CHEMBL3628069)
Show SMILES Cc1cccc(C)c1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
Show InChI InChI=1S/C26H21NO4S2/c1-16-4-3-5-17(2)23(16)27-24(28)22(33-26(27)32)14-18-8-12-21(13-9-18)31-15-19-6-10-20(11-7-19)25(29)30/h3-14H,15H2,1-2H3,(H,29,30)/b22-14-
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720n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.051
BindingDB Entry DOI: 10.7270/Q2RB76DD
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50127757
PNG
(CHEMBL3628069)
Show SMILES Cc1cccc(C)c1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
Show InChI InChI=1S/C26H21NO4S2/c1-16-4-3-5-17(2)23(16)27-24(28)22(33-26(27)32)14-18-8-12-21(13-9-18)31-15-19-6-10-20(11-7-19)25(29)30/h3-14H,15H2,1-2H3,(H,29,30)/b22-14-
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900n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.051
BindingDB Entry DOI: 10.7270/Q2RB76DD
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50127757
PNG
(CHEMBL3628069)
Show SMILES Cc1cccc(C)c1N1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)cc2)C1=O
Show InChI InChI=1S/C26H21NO4S2/c1-16-4-3-5-17(2)23(16)27-24(28)22(33-26(27)32)14-18-8-12-21(13-9-18)31-15-19-6-10-20(11-7-19)25(29)30/h3-14H,15H2,1-2H3,(H,29,30)/b22-14-
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3.90E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.051
BindingDB Entry DOI: 10.7270/Q2RB76DD
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50020662
PNG
(CHEMBL3290501)
Show SMILES CC[C@@H](C)[C@H]1O[C@H](\C=C\C=C\C(O)=O)[C@@H](O)[C@@]2(O)[C@@H]3CC=C(C)C[C@H]3C=C(C)[C@H]2[C@]1(C)O
Show InChI InChI=1S/C26H38O6/c1-6-16(3)24-25(5,30)22-17(4)14-18-13-15(2)11-12-19(18)26(22,31)23(29)20(32-24)9-7-8-10-21(27)28/h7-11,14,16,18-20,22-24,29-31H,6,12-13H2,1-5H3,(H,27,28)/b9-7+,10-8+/t16-,18+,19-,20-,22+,23-,24-,25+,26-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kobe Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta expressed in Escherichia coli JMpbeta5 cells assessed as incorporation of [3H]dTTP into poly(dA)/ol...


J Nat Prod 77: 1404-12 (2014)


Article DOI: 10.1021/np500143k
BindingDB Entry DOI: 10.7270/Q24M9639
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50127752
PNG
(CHEMBL3629703)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C22H30N4O3/c1-15-11-16(12-17-13-23-24-18(15)17)19(27)25-8-5-22(6-9-25)7-10-26(14-22)20(28)29-21(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,23,24)
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n/an/a 1.00E+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 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50127752
PNG
(CHEMBL3629703)
Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C22H30N4O3/c1-15-11-16(12-17-13-23-24-18(15)17)19(27)25-8-5-22(6-9-25)7-10-26(14-22)20(28)29-21(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,23,24)
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n/an/a 510n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50020658
PNG
(CHEMBL3290491)
Show SMILES CN1CCN(CCCS(=O)(=O)Nc2ccc(\C=C3/Oc4c(cccc4C(N)=O)C3=O)cc2)CC1
Show InChI InChI=1S/C24H28N4O5S/c1-27-11-13-28(14-12-27)10-3-15-34(31,32)26-18-8-6-17(7-9-18)16-21-22(29)19-4-2-5-20(24(25)30)23(19)33-21/h2,4-9,16,26H,3,10-15H2,1H3,(H2,25,30)/b21-16-
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n/an/a 113n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry


J Med Chem 57: 5579-601 (2014)


Article DOI: 10.1021/jm5002502
BindingDB Entry DOI: 10.7270/Q28C9XSS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50020657
PNG
(CHEMBL3290490)
Show SMILES CN1CCN(CCS(=O)(=O)Nc2ccc(\C=C3/Oc4c(cccc4C(N)=O)C3=O)cc2)CC1
Show InChI InChI=1S/C23H26N4O5S/c1-26-9-11-27(12-10-26)13-14-33(30,31)25-17-7-5-16(6-8-17)15-20-21(28)18-3-2-4-19(23(24)29)22(18)32-20/h2-8,15,25H,9-14H2,1H3,(H2,24,29)/b20-15-
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n/an/a 79n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry


J Med Chem 57: 5579-601 (2014)


Article DOI: 10.1021/jm5002502
BindingDB Entry DOI: 10.7270/Q28C9XSS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM64986
PNG
(US8486940, 190)
Show SMILES O=C1OC[C@H](C2CCCCC2)N1c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C16H19N3O2/c20-16-19(12-6-7-13-14(8-12)18-10-17-13)15(9-21-16)11-4-2-1-3-5-11/h6-8,10-11,15H,1-5,9H2,(H,17,18)/t15-/m1/s1
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spect...


US Patent US8486940 (2013)


BindingDB Entry DOI: 10.7270/Q2251GSF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50020664
PNG
(CHEMBL3290503)
Show SMILES CC[C@@H](C)[C@H]1O[C@H](\C=C\C=C\C(O)=O)[C@@H](O)[C@H]2[C@@H]3CC=C(C)C[C@H]3C=C(C)[C@@]2(O)C1=C
Show InChI InChI=1S/C26H36O5/c1-6-16(3)25-18(5)26(30)17(4)14-19-13-15(2)11-12-20(19)23(26)24(29)21(31-25)9-7-8-10-22(27)28/h7-11,14,16,19-21,23-25,29-30H,5-6,12-13H2,1-4H3,(H,27,28)/b9-7+,10-8+/t16-,19+,20-,21-,23-,24-,25-,26-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kobe Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta expressed in Escherichia coli JMpbeta5 cells assessed as incorporation of [3H]dTTP into poly(dA)/ol...


J Nat Prod 77: 1404-12 (2014)


Article DOI: 10.1021/np500143k
BindingDB Entry DOI: 10.7270/Q24M9639
More data for this
Ligand-Target Pair