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Compile Data Set for Download or QSAR

Found 550 hits with Last Name = 'mitchell' and Initial = 'dj'   
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
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2B


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TAF1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TAF1L (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CECR2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF3 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 BD1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149651
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1
Show InChI InChI=1S/C19H23BrN4O3S/c1-3-27-16-12(9-13(26-2)10-14(16)20)11-21-6-4-7-22-19-23-15-5-8-28-17(15)18(25)24-19/h5,8-10,21H,3-4,6-7,11H2,1-2H3,(H2,22,23,24,25)
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n/an/a 3.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149623
PNG
(CHEMBL424799 | N-(1H-Benzoimidazol-2-yl)-N''-(3-br...)
Show SMILES CCOc1c(Br)cc(Cl)cc1CNCCCNc1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H22BrClN4O/c1-2-26-18-13(10-14(21)11-15(18)20)12-22-8-5-9-23-19-24-16-6-3-4-7-17(16)25-19/h3-4,6-7,10-11,22H,2,5,8-9,12H2,1H3,(H2,23,24,25)
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n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149650
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-thi...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccsc3c(=O)[nH]2)c1
Show InChI InChI=1S/C16H16Br2N4OS/c17-11-6-10(7-12(18)8-11)9-19-3-1-4-20-16-21-13-2-5-24-14(13)15(23)22-16/h2,5-8,19H,1,3-4,9H2,(H2,20,21,22,23)
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n/an/a 3.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149646
PNG
(5-[3-(3,5-Dibromo-benzylamino)-propylamino]-4H-thi...)
Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2ccsc12
Show InChI InChI=1S/C17H17Br2N3OS/c18-12-6-11(7-13(19)8-12)10-20-3-1-4-21-16-9-15(23)17-14(22-16)2-5-24-17/h2,5-9,20H,1,3-4,10H2,(H2,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149649
PNG
(2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccsc2c(=O)[nH]1
Show InChI InChI=1S/C18H20Br2N4O2S/c1-2-26-15-11(8-12(19)9-13(15)20)10-21-5-3-6-22-18-23-14-4-7-27-16(14)17(25)24-18/h4,7-9,21H,2-3,5-6,10H2,1H3,(H2,22,23,24,25)
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n/an/a 4.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189392
PNG
(CHEMBL3828311)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r|
Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149630
PNG
(CHEMBL182960 | N-(3,5-Dibromo-benzyl)-N''-(1H-imid...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C16H17Br2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149643
PNG
(6-[3-(3,5-Dibromo-benzylamino)-propylamino]-7H-thi...)
Show SMILES Oc1cc(NCCCNCc2cc(Br)cc(Br)c2)nc2sccc12
Show InChI InChI=1S/C17H17Br2N3OS/c18-12-6-11(7-13(19)8-12)10-20-3-1-4-21-16-9-15(23)14-2-5-24-17(14)22-16/h2,5-9,20H,1,3-4,10H2,(H2,21,22,23)
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n/an/a 6.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50409933
PNG
(CHEMBL2096779)
Show SMILES Brc1cc(Br)c2NCC[C@@H](NCCCNc3nc4ncccc4[nH]3)c2c1 |r|
Show InChI InChI=1S/C18H20Br2N6/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26)/t14-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149648
PNG
(2-[3-(3-Bromo-2-ethoxy-5-methoxy-benzylamino)-prop...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C21H25BrN4O3/c1-3-29-19-14(11-15(28-2)12-17(19)22)13-23-9-6-10-24-21-25-18-8-5-4-7-16(18)20(27)26-21/h4-5,7-8,11-12,23H,3,6,9-10,13H2,1-2H3,(H2,24,25,26,27)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149635
PNG
(2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1H-qui...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H18Br2N4O/c19-13-8-12(9-14(20)10-13)11-21-6-3-7-22-18-23-16-5-2-1-4-15(16)17(25)24-18/h1-2,4-5,8-10,21H,3,6-7,11H2,(H2,22,23,24,25)
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n/an/a 8.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149637
PNG
(2-[3-(6-Bromo-8-chloro-1,2,3,4-tetrahydro-quinolin...)
Show SMILES Clc1cc(Br)cc2C(CCNc12)NCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H21BrClN5O/c21-12-10-14-16(6-9-24-18(14)15(22)11-12)23-7-3-8-25-20-26-17-5-2-1-4-13(17)19(28)27-20/h1-2,4-5,10-11,16,23-24H,3,6-9H2,(H2,25,26,27,28)
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n/an/a 8.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 9n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp a...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149625
PNG
(2-[3-(3,5-Dibromo-2-ethoxy-benzylamino)-propylamin...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H22Br2N4O2/c1-2-28-18-13(10-14(21)11-16(18)22)12-23-8-5-9-24-20-25-17-7-4-3-6-15(17)19(27)26-20/h3-4,6-7,10-11,23H,2,5,8-9,12H2,1H3,(H2,24,25,26,27)
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n/an/a 9.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149644
PNG
(CHEMBL182225 | N-(6,8-Dibromo-1,2,3,4-tetrahydro-q...)
Show SMILES Brc1cc(Br)c2NCCC(NCCCNc3nc4ncccc4[nH]3)c2c1
Show InChI InChI=1S/C18H20Br2N6/c19-11-9-12-14(4-8-22-16(12)13(20)10-11)21-6-2-7-24-18-25-15-3-1-5-23-17(15)26-18/h1,3,5,9-10,14,21-22H,2,4,6-8H2,(H2,23,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149617
PNG
(CHEMBL361649 | N-(1H-Benzoimidazol-2-yl)-N''-(6,8-...)
Show SMILES Brc1cc(Br)c2NCCC(NCCCNc3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C19H21Br2N5/c20-12-10-13-15(6-9-23-18(13)14(21)11-12)22-7-3-8-24-19-25-16-4-1-2-5-17(16)26-19/h1-2,4-5,10-11,15,22-23H,3,6-9H2,(H2,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149640
PNG
(2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...)
Show SMILES Brc1cc(Br)c2NCCC(NCCCNc3nc4ccsc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C18H19Br2N5OS/c19-10-8-11-13(2-6-22-15(11)12(20)9-10)21-4-1-5-23-18-24-14-3-7-27-16(14)17(26)25-18/h3,7-9,13,21-22H,1-2,4-6H2,(H2,23,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189402
PNG
(CHEMBL3828008)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r|
Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149639
PNG
(CHEMBL183110 | N-(1H-Benzoimidazol-2-yl)-N''-(6-et...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C21H26IN5/c1-2-14-12-15-17(8-11-24-20(15)16(22)13-14)23-9-5-10-25-21-26-18-6-3-4-7-19(18)27-21/h3-4,6-7,12-13,17,23-24H,2,5,8-11H2,1H3,(H2,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149615
PNG
(2-[3-(6-Ethyl-8-iodo-1,2,3,4-tetrahydro-quinolin-4...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ccccc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C22H26IN5O/c1-2-14-12-16-18(8-11-25-20(16)17(23)13-14)24-9-5-10-26-22-27-19-7-4-3-6-15(19)21(29)28-22/h3-4,6-7,12-13,18,24-25H,2,5,8-11H2,1H3,(H2,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149632
PNG
(CHEMBL185486 | N-(1H-Benzoimidazol-2-yl)-N''-(3-br...)
Show SMILES CCOc1c(Br)cc(OC)cc1CNCCCNc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H25BrN4O2/c1-3-27-19-14(11-15(26-2)12-16(19)21)13-22-9-6-10-23-20-24-17-7-4-5-8-18(17)25-20/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3,(H2,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149627
PNG
(CHEMBL180309 | N-(1H-Benzoimidazol-2-yl)-N''-(3,5-...)
Show SMILES CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H22Br2N4O/c1-2-26-18-13(10-14(20)11-15(18)21)12-22-8-5-9-23-19-24-16-6-3-4-7-17(16)25-19/h3-4,6-7,10-11,22H,2,5,8-9,12H2,1H3,(H2,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149619
PNG
(CHEMBL182821 | N-(6-Ethyl-8-iodo-1,2,3,4-tetrahydr...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3nc4ncccc4[nH]3)c2c1
Show InChI InChI=1S/C20H25IN6/c1-2-13-11-14-16(6-10-23-18(14)15(21)12-13)22-8-4-9-25-20-26-17-5-3-7-24-19(17)27-20/h3,5,7,11-12,16,22-23H,2,4,6,8-10H2,1H3,(H2,24,25,26,27)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 residues) (unknown origin) expressed in HEK293 cells co-transfected with h...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149622
PNG
(CHEMBL182263 | N-(1H-Benzoimidazol-2-yl)-N''-(3,5-...)
Show SMILES Brc1cc(Br)cc(CNCCCNc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C17H18Br2N4/c18-13-8-12(9-14(19)10-13)11-20-6-3-7-21-17-22-15-4-1-2-5-16(15)23-17/h1-2,4-5,8-10,20H,3,6-7,11H2,(H2,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098301
PNG
(CHEMBL3590383)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189353
PNG
(CHEMBL3827767)
Show SMILES COc1ncccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C19H22N4O4/c1-11(2)27-16-10-15-14(22(3)19(25)23(15)4)9-13(16)21-17(24)12-7-6-8-20-18(12)26-5/h6-11H,1-5H3,(H,21,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189409
PNG
(CHEMBL3828684)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C
Show InChI InChI=1S/C20H23N3O4/c1-12(2)27-18-11-16-15(22(3)20(25)23(16)4)10-14(18)21-19(24)13-8-6-7-9-17(13)26-5/h6-12H,1-5H3,(H,21,24)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Methionyl-tRNA synthetase


(Staphylococcus aureus (strain MW2))
BDBM50149641
PNG
(2-[3-(3,4-Dichloro-benzylamino)-propoxy]-1H-quinol...)
Show SMILES Oc1cc(OCCCNCc2ccc(Cl)c(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C19H18Cl2N2O2/c20-15-7-6-13(10-16(15)21)12-22-8-3-9-25-19-11-18(24)14-4-1-2-5-17(14)23-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H,23,24)
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase


Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 40n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098251
PNG
(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1 |r|
Show InChI InChI=1/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp ass...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189408
PNG
(CHEMBL3828194)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N(C)C
Show InChI InChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay


ACS Med Chem Lett 5: 1190-5 (2014)


Article DOI: 10.1021/ml5002932
BindingDB Entry DOI: 10.7270/Q2445P29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098307
PNG
(CHEMBL3590407)
Show SMILES CCc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cncc(C)c1 |r|
Show InChI InChI=1S/C26H29NO/c1-4-25(22-13-9-6-10-14-22)26(19-21-11-7-5-8-12-21)23-15-17-24(18-16-23)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
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