Found 42 hits of kd data for polymerid = 50006451 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 |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183448
(CHEMBL3823478 | US11773085, Compound B2)Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Binding affinity to human BRD7 by BROMOScan analysis |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183448
(CHEMBL3823478 | US11773085, Compound B2)Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) |
J Med Chem 63: 5816-5840 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50573197
(CHEMBL4872300) | PDB MMDB
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| n/a | n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD7 (unknown origin) by BROMOscan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01294 BindingDB Entry DOI: 10.7270/Q2HM5D7G |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(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 MMDB
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| 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 BRD7 (L125 to R254 residues) expressed in mammalian 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 | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183449
(CHEMBL3823101 | US11773085, Compound B23)Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Binding affinity to human BRD7 by BROMOScan analysis |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183449
(CHEMBL3823101 | US11773085, Compound B23)Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) |
J Med Chem 63: 5816-5840 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50540499
(CHEMBL4635496)Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H27N3O5/c1-4-5-8-27-15-19(16-6-7-25-22(16)24(27)29)17-13-21(31-3)18(14-20(17)30-2)23(28)26-9-11-32-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+ | PDB MMDB
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) |
J Med Chem 63: 5816-5840 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM321424
(6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...)Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+ | PDB MMDB
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| | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183448
(CHEMBL3823478 | US11773085, Compound B2)Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ... |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB MMDB
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| n/a | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human BRD7 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50147620
(CHEMBL3769507)Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ... |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | CHEMBL5270178
| PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50587251
(CHEMBL5080049)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human BRD7 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183449
(CHEMBL3823101 | US11773085, Compound B23)Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Binding affinity to human BRD7 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50266968
(CHEMBL4065619 | US11773085, Compound B27)Show SMILES CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12 Show InChI InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) | PDB MMDB
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) |
J Med Chem 63: 5816-5840 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | CHEMBL5282240
| PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50266968
(CHEMBL4065619 | US11773085, Compound B27)Show SMILES CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12 Show InChI InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) by isothermal titration calorimetry |
J Med Chem 60: 157-169 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00923 BindingDB Entry DOI: 10.7270/Q2TM7DMZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50504160
(CHEMBL3133807 | US11773085, Compound B25)Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 392 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ... |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50147620
(CHEMBL3769507)Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27) | PDB MMDB
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) |
J Med Chem 63: 5816-5840 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50183449
(CHEMBL3823101 | US11773085, Compound B23)Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3 | PDB MMDB
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 418 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ... |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM321437
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+ | PDB MMDB
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| PC cid PC sid UniChem
| | n/a | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50266968
(CHEMBL4065619 | US11773085, Compound B27)Show SMILES CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12 Show InChI InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) | PDB MMDB
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | 556 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ... |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB MMDB
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| n/a | n/a | n/a | 909 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Inhibition of human BRD7 by VP-ITC method |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB MMDB
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TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB MMDB
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| n/a | n/a | n/a | 909 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to human BRD7 by ITC analysis |
J Med Chem 59: 4459-61 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00550 BindingDB Entry DOI: 10.7270/Q2PK0J3N |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB MMDB
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| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) |
J Med Chem 63: 5816-5840 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(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 MMDB
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| 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 The compound was tested for the inhibition of fibrinogen receptor |
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 | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50453949
(CHEMBL4208820 | US11247989, Example 87)Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1 Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37) | PDB MMDB
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| n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025 BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(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 MMDB
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| n/a | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 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 | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB MMDB
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| n/a | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay |
J Med Chem 60: 3887-3901 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00193 BindingDB Entry DOI: 10.7270/Q28W3GWN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50026622
(CHEMBL408982)Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7- | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ... |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50026622
(CHEMBL408982)Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7- | PDB MMDB
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| n/a | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 7
(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 MMDB
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| n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human BRD7 (L125 to R254 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 | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50250892
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35) | PDB MMDB
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| n/a | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to human BRD7 (L125 to R254) expressed in mammalian cells by BromoScan assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | PDB MMDB
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| n/a | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human BRD7 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB MMDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human BRD7 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB MMDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system after 1 hr by bromoscan assay |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50514649
(CHEMBL3990456)Show SMILES Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis |
J Med Chem 63: 3227-3237 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01980 BindingDB Entry DOI: 10.7270/Q26T0R19 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50455480
(CHEMBL4218735)Show SMILES CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25| Show InChI InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | <3.02E+4 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length DNA-tagged BRD7 expressed in mammalian expression system by BROMOscan method |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666 BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50098311
(CHEMBL3590408)Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to BRD7 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 | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50269687
(CHEMBL4073178)Show SMILES COc1cccc(c1)-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H30N6O3/c1-4-12-34-17-23(22-8-11-29-26(22)28(34)36)27(35)32(2)20-9-13-33(14-10-20)25-16-24(30-18-31-25)19-6-5-7-21(15-19)37-3/h4-8,11,15-18,20,29H,1,9-10,12-14H2,2-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a | n/a |
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.
Curated by ChEMBL
| Assay Description Binding affinity to human DNA-tagged BRD7 (125 to 254 residues) expressed in mammalian expression system by BROMOscan assay |
ACS Med Chem Lett 8: 737-741 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN |
More data for this Ligand-Target Pair | |