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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'sutherell' and Initial = 'cl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539993
PNG
(CHEMBL4647500)
Show SMILES CCN(C)c1nc(nc2ccc(cc12)S(=O)(=O)Nc1c(C)nn(C)c1C)N(C)C1CCN(C)C1
Show InChI InChI=1S/C23H34N8O2S/c1-8-29(5)22-19-13-18(34(32,33)27-21-15(2)26-31(7)16(21)3)9-10-20(19)24-23(25-22)30(6)17-11-12-28(4)14-17/h9-10,13,17,27H,8,11-12,14H2,1-7H3
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n/an/a 180n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Escherichia coli)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 280n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase (A2B2 tetramer) using relaxed pBR322 as substrate preincubated for 30 mins followed by enzyme addition by S...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.06.025
BindingDB Entry DOI: 10.7270/Q2JM2F2T
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539980
PNG
(CHEMBL4644304)
Show SMILES CN(CCC#N)c1nc(nc2cc(sc12)C(C)(C)C)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C21H32N6S/c1-21(2,3)17-14-16-18(28-17)19(26(5)11-7-10-22)24-20(23-16)27(6)15-8-12-25(4)13-9-15/h14-15H,7-9,11-13H2,1-6H3
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n/an/a 550n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539992
PNG
(CHEMBL4632916)
Show SMILES CCN(C)c1nc(nc2ccc(cc12)S(=O)(=O)Nc1c(C)nn(C)c1C)N(C)CCCN(C)C
Show InChI InChI=1S/C23H36N8O2S/c1-9-29(6)22-19-15-18(34(32,33)27-21-16(2)26-31(8)17(21)3)11-12-20(19)24-23(25-22)30(7)14-10-13-28(4)5/h11-12,15,27H,9-10,13-14H2,1-8H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539975
PNG
(CHEMBL4633418)
Show SMILES CN(C1CCNCC1)c1nc(N2CCC[C@H]2CC#N)c2sccc2n1 |r|
Show InChI InChI=1S/C18H24N6S/c1-23(13-5-9-20-10-6-13)18-21-15-7-12-25-16(15)17(22-18)24-11-2-3-14(24)4-8-19/h7,12-14,20H,2-6,9-11H2,1H3/t14-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539991
PNG
(CHEMBL4632704)
Show SMILES CCN(C)c1nc(nc2ccc(cc12)S(=O)(=O)Nc1c(C)nn(C)c1C)N(C)C1CCNCC1
Show InChI InChI=1S/C23H34N8O2S/c1-7-29(4)22-19-14-18(34(32,33)28-21-15(2)27-31(6)16(21)3)8-9-20(19)25-23(26-22)30(5)17-10-12-24-13-11-17/h8-9,14,17,24,28H,7,10-13H2,1-6H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539990
PNG
(CHEMBL4647034)
Show SMILES CCN(C)c1nc(nc2ccc(cc12)S(=O)(=O)Nc1c(C)nn(C)c1C)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539972
PNG
(CHEMBL4638503)
Show SMILES COC[C@@H]1CCCN1c1nc(nc2ccsc12)N(C)C1CCNCC1 |r|
Show InChI InChI=1S/C18H27N5OS/c1-22(13-5-8-19-9-6-13)18-20-15-7-11-25-16(15)17(21-18)23-10-3-4-14(23)12-24-2/h7,11,13-14,19H,3-6,8-10,12H2,1-2H3/t14-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539956
PNG
(CHEMBL4634852)
Show SMILES CN(CCC#N)c1nc(nc2ccsc12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C17H24N6S/c1-21-10-5-13(6-11-21)23(3)17-19-14-7-12-24-15(14)16(20-17)22(2)9-4-8-18/h7,12-13H,4-6,9-11H2,1-3H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184973
PNG
(CHEMBL3822828)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2/b13-12+
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184975
PNG
(CHEMBL3823214)
Show SMILES CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C18H22N4O/c1-2-20-9-11-21(12-10-20)13-14-7-8-22-16-6-4-3-5-15(16)18(23)19-17(14)22/h3-6,13H,2,7-12H2,1H3/b14-13+
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184974
PNG
(CHEMBL3823057)
Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)12-13-6-7-21-15-5-3-2-4-14(15)17(22)18-16(13)21/h2-5,12H,6-11H2,1H3/b13-12+
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539977
PNG
(CHEMBL4634504)
Show SMILES CCN(C)c1nc(nc2ccsc12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C16H25N5S/c1-5-20(3)15-14-13(8-11-22-14)17-16(18-15)21(4)12-6-9-19(2)10-7-12/h8,11-12H,5-7,9-10H2,1-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184972
PNG
(CHEMBL3823525)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1
Show InChI InChI=1S/C16H17N3O/c20-16-13-5-1-2-6-14(13)19-10-7-12(15(19)17-16)11-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2/b12-11+
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184971
PNG
(CHEMBL3823210)
Show SMILES CN(C)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C14H15N3O/c1-16(2)9-10-7-8-17-12-6-4-3-5-11(12)14(18)15-13(10)17/h3-6,9H,7-8H2,1-2H3/b10-9+
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539962
PNG
(CHEMBL4638689)
Show SMILES CN(CCC#N)c1nc(nc2ccsc12)N(C)C1CCNCC1
Show InChI InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539958
PNG
(CHEMBL4642741)
Show SMILES CN(CCC#N)c1nc(nc2ccccc12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C19H26N6/c1-23-13-9-15(10-14-23)25(3)19-21-17-8-5-4-7-16(17)18(22-19)24(2)12-6-11-20/h4-5,7-8,15H,6,9-10,12-14H2,1-3H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539976
PNG
(CHEMBL4641086)
Show SMILES CN(C)CCCN(C)c1nc(N2CCC[C@H]2CC#N)c2sccc2n1 |r|
Show InChI InChI=1S/C18H26N6S/c1-22(2)10-5-11-23(3)18-20-15-8-13-25-16(15)17(21-18)24-12-4-6-14(24)7-9-19/h8,13-14H,4-7,10-12H2,1-3H3/t14-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539963
PNG
(CHEMBL4637123)
Show SMILES CCN1CCC(CC1)N(C)c1nc(N(C)CCC#N)c2sccc2n1
Show InChI InChI=1S/C18H26N6S/c1-4-24-11-6-14(7-12-24)23(3)18-20-15-8-13-25-16(15)17(21-18)22(2)10-5-9-19/h8,13-14H,4-7,10-12H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184976
PNG
(CHEMBL3823365)
Show SMILES CN1CCCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C18H22N4O/c1-20-8-4-9-21(12-11-20)13-14-7-10-22-16-6-3-2-5-15(16)18(23)19-17(14)22/h2-3,5-6,13H,4,7-12H2,1H3/b14-13+
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539973
PNG
(CHEMBL4641649)
Show SMILES COC[C@@H]1CCCN1c1nc(nc2ccsc12)N(C)CCCN(C)C |r|
Show InChI InChI=1S/C18H29N5OS/c1-21(2)9-6-10-22(3)18-19-15-8-12-25-16(15)17(20-18)23-11-5-7-14(23)13-24-4/h8,12,14H,5-7,9-11,13H2,1-4H3/t14-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539981
PNG
(CHEMBL4640420)
Show SMILES CN(CCC#N)c1nc(nc2cc(sc12)C(C)(C)C)N(C)C1CCN(C)C1
Show InChI InChI=1S/C20H30N6S/c1-20(2,3)16-12-15-17(27-16)18(25(5)10-7-9-21)23-19(22-15)26(6)14-8-11-24(4)13-14/h12,14H,7-8,10-11,13H2,1-6H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539978
PNG
(CHEMBL4639250)
Show SMILES CCN(C)c1nc(nc2ccsc12)N(C)C1CCNCC1
Show InChI InChI=1S/C15H23N5S/c1-4-19(2)14-13-12(7-10-21-13)17-15(18-14)20(3)11-5-8-16-9-6-11/h7,10-11,16H,4-6,8-9H2,1-3H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539966
PNG
(CHEMBL4634547)
Show SMILES CN[C@H]1CCN(C[C@@H]1F)c1nc(N(C)CCC#N)c2sccc2n1 |r|
Show InChI InChI=1S/C16H21FN6S/c1-19-12-4-8-23(10-11(12)17)16-20-13-5-9-24-14(13)15(21-16)22(2)7-3-6-18/h5,9,11-12,19H,3-4,7-8,10H2,1-2H3/t11-,12-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539965
PNG
(CHEMBL4642301)
Show SMILES CCNC1CCN(CC1)c1nc(N(C)CCC#N)c2sccc2n1
Show InChI InChI=1S/C17H24N6S/c1-3-19-13-5-10-23(11-6-13)17-20-14-7-12-24-15(14)16(21-17)22(2)9-4-8-18/h7,12-13,19H,3-6,9-11H2,1-2H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539983
PNG
(CHEMBL4643474)
Show SMILES CN(CCC#N)c1nc(nc2ccc(Br)cc12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C19H25BrN6/c1-24-11-7-15(8-12-24)26(3)19-22-17-6-5-14(20)13-16(17)18(23-19)25(2)10-4-9-21/h5-6,13,15H,4,7-8,10-12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539985
PNG
(CHEMBL4646966)
Show SMILES COc1ccc2nc(nc(N(C)CCC#N)c2c1)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C20H28N6O/c1-24-12-8-15(9-13-24)26(3)20-22-18-7-6-16(27-4)14-17(18)19(23-20)25(2)11-5-10-21/h6-7,14-15H,5,8-9,11-13H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539964
PNG
(CHEMBL4636010)
Show SMILES CC(C)CN1CCC(CC1)N(C)c1nc(N(C)CCC#N)c2sccc2n1
Show InChI InChI=1S/C20H30N6S/c1-15(2)14-26-11-6-16(7-12-26)25(4)20-22-17-8-13-27-18(17)19(23-20)24(3)10-5-9-21/h8,13,15-16H,5-7,10-12,14H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539986
PNG
(CHEMBL4638924)
Show SMILES COc1ccc2nc(nc(N(C)CCC#N)c2c1)N(C)CCCN(C)C
Show InChI InChI=1S/C19H28N6O/c1-23(2)11-7-13-25(4)19-21-17-9-8-15(26-5)14-16(17)18(22-19)24(3)12-6-10-20/h8-9,14H,6-7,11-13H2,1-5H3
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539967
PNG
(CHEMBL4649184)
Show SMILES CN[C@H]1CCN(C[C@H]1F)c1nc(N(C)CCC#N)c2sccc2n1 |r|
Show InChI InChI=1S/C16H21FN6S/c1-19-12-4-8-23(10-11(12)17)16-20-13-5-9-24-14(13)15(21-16)22(2)7-3-6-18/h5,9,11-12,19H,3-4,7-8,10H2,1-2H3/t11-,12+/m1/s1
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539968
PNG
(CHEMBL4645634)
Show SMILES CN(CCC#N)c1nc(nc2ccccc12)N(C)C1CCNCC1
Show InChI InChI=1S/C18H24N6/c1-23(13-5-10-19)17-15-6-3-4-7-16(15)21-18(22-17)24(2)14-8-11-20-12-9-14/h3-4,6-7,14,20H,5,8-9,11-13H2,1-2H3
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539969
PNG
(CHEMBL4644983)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(C)c1nc(N(C)CCC#N)c3ccccc3n1)N2C |r,TLB:28:27:2.3:7.8.6|
Show InChI InChI=1S/C21H28N6/c1-25(12-6-11-22)20-18-7-4-5-8-19(18)23-21(24-20)27(3)17-13-15-9-10-16(14-17)26(15)2/h4-5,7-8,15-17H,6,9-10,12-14H2,1-3H3/t15-,16+,17+
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539970
PNG
(CHEMBL4648485)
Show SMILES CN(C)CCCN(C)c1nc(N(C)CCN(C)C(C)=O)c2sccc2n1
Show InChI InChI=1S/C18H30N6OS/c1-14(25)22(4)11-12-23(5)17-16-15(8-13-26-16)19-18(20-17)24(6)10-7-9-21(2)3/h8,13H,7,9-12H2,1-6H3
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539971
PNG
(CHEMBL4639906)
Show SMILES COC[C@@H]1CCCN1c1nc(nc2ccsc12)N(C)C1CCN(C)CC1 |r|
Show InChI InChI=1S/C19H29N5OS/c1-22-10-6-14(7-11-22)23(2)19-20-16-8-12-26-17(16)18(21-19)24-9-4-5-15(24)13-25-3/h8,12,14-15H,4-7,9-11,13H2,1-3H3/t15-/m0/s1
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539957
PNG
(CHEMBL4649163)
Show SMILES CN(C)CCCN(C)c1nc(N(C)CCC#N)c2sccc2n1
Show InChI InChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539987
PNG
(CHEMBL4643976)
Show SMILES CN(C)CCCN(C)c1nc(N(C)CCC#N)c2cc(ccc2n1)-c1ccccc1
Show InChI InChI=1S/C24H30N6/c1-28(2)15-9-17-30(4)24-26-22-13-12-20(19-10-6-5-7-11-19)18-21(22)23(27-24)29(3)16-8-14-25/h5-7,10-13,18H,8-9,15-17H2,1-4H3
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539974
PNG
(CHEMBL4635262)
Show SMILES CN(C1CCN(C)CC1)c1nc(N2CCC[C@H]2CC#N)c2sccc2n1 |r|
Show InChI InChI=1S/C19H26N6S/c1-23-11-6-14(7-12-23)24(2)19-21-16-8-13-26-17(16)18(22-19)25-10-3-4-15(25)5-9-20/h8,13-15H,3-7,10-12H2,1-2H3/t15-/m0/s1
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539988
PNG
(CHEMBL4641823)
Show SMILES CN(C)CCCN(C)c1nc(N(C)CCC#N)c2cc(ccc2n1)-c1ccccc1C
Show InChI InChI=1S/C25H32N6/c1-19-10-6-7-11-21(19)20-12-13-23-22(18-20)24(30(4)16-8-14-26)28-25(27-23)31(5)17-9-15-29(2)3/h6-7,10-13,18H,8-9,15-17H2,1-5H3
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Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539989
PNG
(CHEMBL4644841)
Show SMILES COc1ccc(c(C)c1)-c1ccc2nc(nc(N(C)CCC#N)c2c1)N(C)CCCN(C)C
Show InChI InChI=1S/C26H34N6O/c1-19-17-21(33-6)10-11-22(19)20-9-12-24-23(18-20)25(31(4)15-7-13-27)29-26(28-24)32(5)16-8-14-30(2)3/h9-12,17-18H,7-8,14-16H2,1-6H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539959
PNG
(CHEMBL4643929)
Show SMILES CN(C)CCCN(C)c1nc(N(C)CCC#N)c2cccnc2n1
Show InChI InChI=1S/C17H25N7/c1-22(2)11-7-13-24(4)17-20-15-14(8-5-10-19-15)16(21-17)23(3)12-6-9-18/h5,8,10H,6-7,11-13H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539961
PNG
(CHEMBL4642415)
Show SMILES CN(C)CCCN(C)c1nccc(n1)N(C)CCC#N
Show InChI InChI=1S/C14H24N6/c1-18(2)10-6-12-20(4)14-16-9-7-13(17-14)19(3)11-5-8-15/h7,9H,5-6,10-12H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539979
PNG
(CHEMBL4649765)
Show SMILES CCN(C)c1nc(nc2ccsc12)N(C)CCCN(C)C
Show InChI InChI=1S/C15H25N5S/c1-6-19(4)14-13-12(8-11-21-13)16-15(17-14)20(5)10-7-9-18(2)3/h8,11H,6-7,9-10H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539960
PNG
(CHEMBL4644148)
Show SMILES CN(C)CCCN(C)c1nc(N(C)CCC#N)c2n(C)cnc2n1
Show InChI InChI=1S/C16H26N8/c1-21(2)9-7-11-23(4)16-19-14-13(24(5)12-18-14)15(20-16)22(3)10-6-8-17/h12H,6-7,9-11H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539982
PNG
(CHEMBL4642112)
Show SMILES CN(CCC#N)c1nc(nc2cc(sc12)C(C)(C)C)N(C)C1CCNC1
Show InChI InChI=1S/C19H28N6S/c1-19(2,3)15-11-14-16(26-15)17(24(4)10-6-8-20)23-18(22-14)25(5)13-7-9-21-12-13/h11,13,21H,6-7,9-10,12H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1


(Homo sapiens (Human))
BDBM50539984
PNG
(CHEMBL4641691)
Show SMILES CN(CCC#N)c1nc(nc2ccc(Br)cc12)N(C)C1CCN(C)C1
Show InChI InChI=1S/C18H23BrN6/c1-23-10-7-14(12-23)25(3)18-21-16-6-5-13(19)11-15(16)17(22-18)24(2)9-4-8-20/h5-6,11,14H,4,7,9-10,12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay


J Med Chem 63: 7740-7765 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00570
BindingDB Entry DOI: 10.7270/Q2HX1H6V
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184972
PNG
(CHEMBL3823525)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1
Show InChI InChI=1S/C16H17N3O/c20-16-13-5-1-2-6-14(13)19-10-7-12(15(19)17-16)11-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2/b12-11+
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n/an/an/a 2.30E+3n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184973
PNG
(CHEMBL3822828)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2/b13-12+
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184977
PNG
(CHEMBL3823132)
Show SMILES CN(C)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C14H14ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-5,8H,6-7H2,1-2H3/b9-8+
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n/an/an/a 137n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184978
PNG
(CHEMBL3823524)
Show SMILES Clc1cccc2n3CC\C(=C/N4CCCCC4)c3nc(=O)c12
Show InChI InChI=1S/C17H18ClN3O/c18-13-5-4-6-14-15(13)17(22)19-16-12(7-10-21(14)16)11-20-8-2-1-3-9-20/h4-6,11H,1-3,7-10H2/b12-11+
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n/an/an/a 127n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184979
PNG
(CHEMBL3822689)
Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN4O/c1-20-7-9-21(10-8-20)11-12-5-6-22-14-4-2-3-13(18)15(14)17(23)19-16(12)22/h2-4,11H,5-10H2,1H3/b12-11+
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n/an/an/a 124n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
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