BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 105 hits of kd data for polymerid = 50006705,50006705   
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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50539801
PNG
(CHEMBL4648912 | US11840533, Compound 70)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a<1n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 7186-7210 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00456
BindingDB Entry DOI: 10.7270/Q2PK0KPP
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50539801
PNG
(CHEMBL4648912 | US11840533, Compound 70)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a<1n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 7186-7210 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00456
BindingDB Entry DOI: 10.7270/Q2PK0KPP
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM394399
PNG
(US10308614, Example 1 | tert-butyl 4-(3-amino-6-(2...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc(nnc1N)-c1ccccc1O
Show InChI InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 13n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM394530
PNG
((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131)
Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|
Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 18n/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))
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r|
Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 25n/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))
BDBM394406
PNG
(2-(6-amino-5-(piperazin- | US10308614, Example 7)
Show SMILES Nc1nnc(cc1N1CCNCC1)-c1ccccc1O
Show InChI InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 26n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50182280
PNG
(CHEMBL3819245)
Show SMILES Oc1ccccc1C(=O)\C=C\N1CCc2c(C1)ncnc2NC1CC1
Show InChI InChI=1S/C19H20N4O2/c24-17-4-2-1-3-15(17)18(25)8-10-23-9-7-14-16(11-23)20-12-21-19(14)22-13-5-6-13/h1-4,8,10,12-13,24H,5-7,9,11H2,(H,20,21,22)/b10-8+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 28n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PB1 isoform 5 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry


J Med Chem 59: 4800-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00012
BindingDB Entry DOI: 10.7270/Q2G44S62
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198447
PNG
(CHEMBL3899245)
Show SMILES Oc1ccccc1C(=O)\C=C\N1CC2CC1CN2c1ccccn1 |TLB:18:17:14:11.12,10:11:17.16:14|
Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 43n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r|
Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 48n/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))
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r|
Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 48n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to PB1 bromodomain5 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 48n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Reverse ITC (compound as receptor). Domain start/stop: S613-D734


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))
BDBM50549126
PNG
(CHEMBL4793170)
Show SMILES Nc1nnc(cc1N1CCC(O)CC1)-c1ccccc1O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 64n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 69n/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))
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r|
Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a<100n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PB1 isoform 5 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry


J Med Chem 59: 4800-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00012
BindingDB Entry DOI: 10.7270/Q2G44S62
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50184980
PNG
(CHEMBL3824067)
Show SMILES CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C18H21ClN4O/c1-2-21-8-10-22(11-9-21)12-13-6-7-23-15-5-3-4-14(19)16(15)18(24)20-17(13)23/h3-5,12H,2,6-11H2,1H3/b13-12+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 142n/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))
BDBM50182280
PNG
(CHEMBL3819245)
Show SMILES Oc1ccccc1C(=O)\C=C\N1CCc2c(C1)ncnc2NC1CC1
Show InChI InChI=1S/C19H20N4O2/c24-17-4-2-1-3-15(17)18(25)8-10-23-9-7-14-16(11-23)20-12-21-19(14)22-13-5-6-13/h1-4,8,10,12-13,24H,5-7,9,11H2,(H,20,21,22)/b10-8+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 152n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PB1 isoform 2 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration Calorimetry


J Med Chem 59: 4800-11 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00012
BindingDB Entry DOI: 10.7270/Q2G44S62
More data for this
Ligand-Target Pair
Protein polybromo-1


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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 170n/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))
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 170n/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))
BDBM50549127
PNG
(CHEMBL4790365)
Show SMILES Nc1nnc(cc1N1CCC[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 238n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549127
PNG
(CHEMBL4790365)
Show SMILES Nc1nnc(cc1N1CCC[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 252n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (2) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50584925
PNG
(CHEMBL5079885)
Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a<316n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human PBRM1 bromodomain 5 assessed as dissociation constant by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01871
BindingDB Entry DOI: 10.7270/Q2280CH8
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549127
PNG
(CHEMBL4790365)
Show SMILES Nc1nnc(cc1N1CCC[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 328n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 350n/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))
BDBM50549129
PNG
(CHEMBL4788561)
Show SMILES Nc1nnc(cc1N1CC[C@@H](O)[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 420n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (2) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549126
PNG
(CHEMBL4793170)
Show SMILES Nc1nnc(cc1N1CCC(O)CC1)-c1ccccc1O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 448n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549126
PNG
(CHEMBL4793170)
Show SMILES Nc1nnc(cc1N1CCC(O)CC1)-c1ccccc1O
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 464n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (2) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM394530
PNG
((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131)
Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|
Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 490n/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))
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 550n/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))
BDBM50598934
PNG
(CHEMBL5183240)
Show SMILES Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 580n/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))
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 700n/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))
BDBM50549129
PNG
(CHEMBL4788561)
Show SMILES Nc1nnc(cc1N1CC[C@@H](O)[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 840n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549131
PNG
(CHEMBL4742007)
Show SMILES Nc1nnc(cc1N1CC[C@H](O)[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 892n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (2) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549128
PNG
(CHEMBL4753080)
Show SMILES Nc1nnc(cc1N1CCC[C@H](C1)Oc1ccccc1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 911n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM220447
PNG
(US10633379, Compound X | US9296741, 36)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM220447
PNG
(US10633379, Compound X | US9296741, 36)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human PBRM1 bromodamian-5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50591363
PNG
(CHEMBL5170275)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.50E+3n/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
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549130
PNG
(CHEMBL4750084)
Show SMILES Nc1nnc(cc1N1CCC[C@@H](C1)Oc1ccccc1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.87E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM394399
PNG
(US10308614, Example 1 | tert-butyl 4-(3-amino-6-(2...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc(nnc1N)-c1ccccc1O
Show InChI InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.96E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 2.51E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to PBRM1 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic 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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549128
PNG
(CHEMBL4753080)
Show SMILES Nc1nnc(cc1N1CCC[C@H](C1)Oc1ccccc1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.94E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (4) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50366670
PNG
(CHEMBL4173488)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a>3.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOScan assay


J Med Chem 61: 6110-6120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00483
BindingDB Entry DOI: 10.7270/Q26M39B1
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50549127
PNG
(CHEMBL4790365)
Show SMILES Nc1nnc(cc1N1CCC[C@@H](O)C1)-c1ccccc1O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.11E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to polybromo-1 (4) (unknown origin) by ITC analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01242
BindingDB Entry DOI: 10.7270/Q2FR017S
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50198449
PNG
(CHEMBL3936967)
Show SMILES Cc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.30E+3n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.30E+3n/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))
BDBM50198438
PNG
(CHEMBL3904183)
Show SMILES CCCc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.30E+3n/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method


J Med Chem 59: 8787-8803 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00355
BindingDB Entry DOI: 10.7270/Q2CV4KQM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 105 total )  |  Next  |  Last  >>
Jump to: