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Compile Data Set for Download or QSAR

Found 48 hits of ic50 data for polymerid = 50006705   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein polybromo-1


(Homo sapiens (Human))
BDBM394583
PNG
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)
Show SMILES Nc1nnc(cc1-c1ccccc1)-c1ccccc1O
Show InChI InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)
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n/an/a 8.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591380
PNG
(CHEMBL5180611)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591362
PNG
(CHEMBL5195502)
Show SMILES Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591371
PNG
(CHEMBL5187356)
Show SMILES Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591363
PNG
(CHEMBL5170275)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591381
PNG
(CHEMBL5184118)
Show SMILES Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591372
PNG
(CHEMBL5207236)
Show SMILES Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591370
PNG
(CHEMBL5185774)
Show SMILES Cc1ccc(C)c(c1)C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
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n/an/a 550n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to PB1A (domain start/stop: S613-D734) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591367
PNG
(CHEMBL5195542)
Show SMILES Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591364
PNG
(CHEMBL5194300)
Show SMILES Cc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591358
PNG
(CHEMBL5204703)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1
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n/an/a 1.00E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591359
PNG
(CHEMBL5170175)
Show SMILES Clc1cccc2NC(NC(=O)c12)c1ccccc1
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n/an/a 1.10E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591368
PNG
(CHEMBL5181215)
Show SMILES Cc1cc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1
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n/an/a 1.30E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591379
PNG
(CHEMBL5176658)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(C)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591360
PNG
(CHEMBL5205087)
Show SMILES Fc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/a 1.70E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591361
PNG
(CHEMBL5197320)
Show SMILES Clc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
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n/an/a 2.10E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591365
PNG
(CHEMBL5171156)
Show SMILES COc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50598934
PNG
(CHEMBL5183240)
Show SMILES Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1
PDB

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n/an/a 3.10E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591378
PNG
(CHEMBL5178860)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(F)cccc2N1
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n/an/a 5.60E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591366
PNG
(CHEMBL5203878)
Show SMILES FC(F)(F)c1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591357
PNG
(CHEMBL5205514)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21
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n/an/a 6.30E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591383
PNG
(CHEMBL5184333)
Show SMILES OC(=O)c1cccc2c1[nH]c1cccc(Cl)c1c2=O
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n/an/a 7.00E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PBRM1(2) expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PBRM1(2) expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50158624
PNG
(CHEMBL3786012)
Show SMILES Cc1[nH]c(c2CCNC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2N2O4S/c1-11-19-14(7-8-24-21(19)26)20(25-11)15-10-13(30(2,27)28)4-6-17(15)29-18-5-3-12(22)9-16(18)23/h3-6,9-10,25H,7-8H2,1-2H3,(H,24,26)
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AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591374
PNG
(CHEMBL5172472)
Show SMILES NC(=O)c1c(Cl)cccc1\N=C\c1c(F)cccc1Cl
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n/an/a 1.70E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591382
PNG
(CHEMBL5171944)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1C(O)=O
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n/an/a 2.60E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a<3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human PBRM1 bromodomain 5 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50104297
PNG
(CHEMBL3594130)
Show SMILES Cc1ccccc1C1NC(=O)c2ccccc2N1
Show InChI InChI=1S/C15H14N2O/c1-10-6-2-3-7-11(10)14-16-13-9-5-4-8-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591369
PNG
(CHEMBL5186537)
Show SMILES Cc1cc(C)cc(c1)C1NC(=O)c2c(Cl)cccc2N1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591377
PNG
(CHEMBL5200761)
Show SMILES COc1cccc2NC(NC(=O)c12)c1ccccc1C
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591376
PNG
(CHEMBL5196748)
Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)[nH]1
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n/an/a 8.99E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50495432
PNG
(CHEMBL3108806)
Show SMILES CCC(=O)Nc1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C20H19N5O/c1-4-18(26)21-17-11-14(10-9-12(17)2)19-15-7-5-6-8-16(15)20-23-22-13(3)25(20)24-19/h5-11H,4H2,1-3H3,(H,21,26)
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14(Ac) peptide from PB1-5 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50495429
PNG
(CHEMBL3108781)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14(Ac) peptide from PB1-5 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50495428
PNG
(CHEMBL3110357)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)22-26(3,24)25)17-14-6-4-5-7-15(14)18-20-19-12(2)23(18)21-17/h4-10,22H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14(Ac) peptide from PB1-5 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50495427
PNG
(CHEMBL1513201)
Show SMILES CNS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12
Show InChI InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K14(Ac) peptide from PB1-5 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591373
PNG
(CHEMBL5171878)
Show SMILES NC(=O)c1ccccc1\N=C\c1c(F)cccc1Cl
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n/an/a 1.19E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591347
PNG
(CHEMBL541514)
Show SMILES OC(=O)c1cccc2c1[nH]c1ccccc1c2=O
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n/an/a 1.27E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591375
PNG
(CHEMBL5202589)
Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)o1
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n/an/a 2.36E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591385
PNG
(CHEMBL5169618)
Show SMILES OC(=O)c1ccc(Cl)c2c1[nH]c1ccccc1c2=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591384
PNG
(LOBENZARIT | Lobenzarit)
Show SMILES OC(=O)c1ccccc1Nc1cc(Cl)ccc1C(O)=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair