Found 97 hits of kd data for polymerid = 50006705 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM50539801
(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/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM394530
((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/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/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
(2-(6-amino-5-(piperazin- | US10308614, Example 7)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/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3819245)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/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/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)) | BDBM50266286
(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/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/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)) | BDBM50158688
(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/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/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)) | BDBM50549126
(CHEMBL4793170) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM394583
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)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/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3822689)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/a | n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3823524)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/a | n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3823132)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/a | n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3819245)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/a | n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/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)) | BDBM50184981
(CHEMBL3823055)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/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/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)) | BDBM50598934
(CHEMBL5183240) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/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)) | BDBM50549127
(CHEMBL4790365) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/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
(CHEMBL4790365) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | <316 | n/a | n/a | n/a | n/a | n/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
(CHEMBL4790365) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 328 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3823055)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/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/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
(CHEMBL4793170) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 448 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM50549126
(CHEMBL4793170) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM394530
((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/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/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
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)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/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/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
(CHEMBL5183240) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/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
(CHEMBL3823055)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/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 892 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 911 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/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)) | BDBM220447
(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/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/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)) | BDBM50184973
(CHEMBL3822828)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/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/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
(CHEMBL5170275) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM50549130
(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/a | n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM50184972
(CHEMBL3823525)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/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/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
(CHEMBL4790365) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.11E+3 | n/a | n/a | n/a | n/a | n/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)) | BDBM50198438
(CHEMBL3904183)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/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/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)) | BDBM50198449
(CHEMBL3936967)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/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/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
(CHEMBL5205514) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/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 | |