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11 similar compounds to monomer 50440601

Compile data set for download or QSAR
Wt: 377.4
BDBM138339
Wt: 377.4
BDBM138314
Wt: 363.4
BDBM138315
Wt: 363.4
BDBM138321
Wt: 363.4
BDBM138327
Wt: 433.5
BDBM50198092
Wt: 433.5
BDBM50198099
Wt: 433.5
BDBM50198101
Wt: 259.3
BDBM50309916
Wt: 466.6
BDBM50440564
Wt: 438.6
BDBM50440602

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 138339,138314,138315,138321,138327,50198092,50198099,50198101,50309916,50440564,50440602   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50309916
PNG
(3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide ...)
Show SMILES NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12
Show InChI InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by microplate scintillation counting


Bioorg Med Chem Lett 20: 1023-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.042
BindingDB Entry DOI: 10.7270/Q2G44QDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138339
PNG
(US8877944, 43)
Show SMILES CCc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H27N3O2/c1-2-16-6-8-17(9-7-16)14-25-12-10-19(11-13-25)26-15-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-9,19H,2,10-15H2,1H3,(H2,24,27)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138314
PNG
(US8877944, 18)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1C
Show InChI InChI=1S/C23H27N3O2/c1-15-6-7-17(12-16(15)2)13-25-10-8-19(9-11-25)26-14-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-7,12,19H,8-11,13-14H2,1-2H3,(H2,24,27)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/a 9.89E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/a 110n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138339
PNG
(US8877944, 43)
Show SMILES CCc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C23H27N3O2/c1-2-16-6-8-17(9-7-16)14-25-12-10-19(11-13-25)26-15-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-9,19H,2,10-15H2,1H3,(H2,24,27)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a 42n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/a 110n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a 8.99E+3n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/an/a 8.71E+3n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00680
BindingDB Entry DOI: 10.7270/Q2JD4ZKF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50309916
PNG
(3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide ...)
Show SMILES NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12
Show InChI InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
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n/an/an/an/a 51n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells


Bioorg Med Chem Lett 20: 1023-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.042
BindingDB Entry DOI: 10.7270/Q2G44QDX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50198092
PNG
(2-(2-methyl-benzyl)-1,3-dioxo-2,3-dihydro-1H-isoin...)
Show SMILES CC1CCCCN1CCCNC(=O)c1ccc2C(=O)N(Cc3ccccc3C)C(=O)c2c1
Show InChI InChI=1S/C26H31N3O3/c1-18-8-3-4-10-21(18)17-29-25(31)22-12-11-20(16-23(22)26(29)32)24(30)27-13-7-15-28-14-6-5-9-19(28)2/h3-4,8,10-12,16,19H,5-7,9,13-15,17H2,1-2H3,(H,27,30)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells co-expressing alpha1G subunit and Kir2.1 potassium channel by patch-clamp assay


Bioorg Med Chem Lett 17: 476-81 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.042
BindingDB Entry DOI: 10.7270/Q2G44R4R
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50198099
PNG
(2-(3-methyl-benzyl)-1,3-dioxo-2,3-dihydro-1H-isoin...)
Show SMILES CC1CCCCN1CCCNC(=O)c1ccc2C(=O)N(Cc3cccc(C)c3)C(=O)c2c1
Show InChI InChI=1S/C26H31N3O3/c1-18-7-5-9-20(15-18)17-29-25(31)22-11-10-21(16-23(22)26(29)32)24(30)27-12-6-14-28-13-4-3-8-19(28)2/h5,7,9-11,15-16,19H,3-4,6,8,12-14,17H2,1-2H3,(H,27,30)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells co-expressing alpha1G subunit and Kir2.1 potassium channel by patch-clamp assay


Bioorg Med Chem Lett 17: 476-81 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.042
BindingDB Entry DOI: 10.7270/Q2G44R4R
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50198101
PNG
(2-(4-methyl-benzyl)-1,3-dioxo-2,3-dihydro-1H-isoin...)
Show SMILES CC1CCCCN1CCCNC(=O)c1ccc2C(=O)N(Cc3ccc(C)cc3)C(=O)c2c1
Show InChI InChI=1S/C26H31N3O3/c1-18-7-9-20(10-8-18)17-29-25(31)22-12-11-21(16-23(22)26(29)32)24(30)27-13-5-15-28-14-4-3-6-19(28)2/h7-12,16,19H,3-6,13-15,17H2,1-2H3,(H,27,30)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells co-expressing alpha1G subunit and Kir2.1 potassium channel by patch-clamp assay


Bioorg Med Chem Lett 17: 476-81 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.042
BindingDB Entry DOI: 10.7270/Q2G44R4R
More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
MBT domain-containing protein 1 (MBTD1)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Scm-like with four MBT domains protein 1


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a 350n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Scm-like with four MBT domains protein 1


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 4


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 4


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
PHD finger protein 23 (PHF23)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (UHRF1)


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Tumor suppressor p53-binding protein 1


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Tumor suppressor p53-binding protein 1


(Homo sapiens (Human))
BDBM50440602
PNG
(CHEMBL2426479)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccccc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-21(10-18-29)27-13-3-4-14-27)23-7-1-2-8-24(23)26(32)30-19-11-22(12-20-30)28-15-5-6-16-28/h1-2,7-8,21-22H,3-6,9-20H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7 (CBX7)


(Homo sapiens (Human))
BDBM50440564
PNG
(CHEMBL2426359)
Show SMILES Cc1cc(C(=O)N2CCC(CC2)N2CCCC2)c(C)cc1C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H42N4O2/c1-21-19-26(28(34)32-17-9-24(10-18-32)30-13-5-6-14-30)22(2)20-25(21)27(33)31-15-7-23(8-16-31)29-11-3-4-12-29/h19-20,23-24H,3-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138314
PNG
(US8877944, 18)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1C
Show InChI InChI=1S/C23H27N3O2/c1-15-6-7-17(12-16(15)2)13-25-10-8-19(9-11-25)26-14-18-4-3-5-20(22(24)27)21(18)23(26)28/h3-7,12,19H,8-11,13-14H2,1-2H3,(H2,24,27)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1)


(Mus musculus)
BDBM138315
PNG
(US8877944, 19)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a 40n/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...


US Patent US8877944 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4PBM
More data for this
Ligand-Target Pair