Found 1613 hits with Last Name = 'wagner' and Initial = 'ff' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| <0.200 | <-55.4 | 1 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.5 | -50.4 | 13 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM178095
(BRD2492)Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3 | -48.6 | 2 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM178095
(BRD2492)Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 14 | -44.8 | 19 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19422
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 25 | -43.4 | 46 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM178100
(BRD3308 | US11377423, Cmpd 1)Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 29 | -43.0 | 64 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19422
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 37 | -42.4 | 41 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50189903
(CHEMBL3828396 | US11572368, Compound 54)Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50130293
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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Similars
| DrugBank US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580148
(US11498896, Compound 135)Show SMILES FC(F)(F)c1ccccc1OCCN1CCC2(CCCN2c2ccc(Cl)cc2)CC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580146
(US11498896, Compound 123) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580142
(US11498896, Compound 110) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580141
(US11498896, Compound 106)Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)C(=O)c1ccccc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580149
(US11498896, Compound 137) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580162
(US11498896, Compound 211)Show SMILES CC(=O)NC1(C)CCN(C[C@H]2COc3ccc(Br)cc3O2)CC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580132
(US11498896, Compound 86) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580136
(US11498896, Compound 98a) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50189911
(CHEMBL3827611)Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1)O2 |r| Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19422
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 223 | -38.0 | 147 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 500 | -36.0 | 398 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50189911
(CHEMBL3827611)Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1)O2 |r| Show InChI InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 519 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580161
(US11498896, Compound 210) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580125
(US11498896, Compound 27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580130
(US11498896, Compound 68)Show SMILES CC1(CCN(CCOc2ccc(cc2)C(F)(F)F)CC1)Oc1ccccc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580131
(US11498896, Compound 78)Show SMILES CC1(CC2CCC(C1)N2CCOc1ccccc1C(F)(F)F)Oc1ccccc1 |TLB:9:8:4.5:1.2.7| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50518039
(CHEMBL4467883 | US11498896, Compound 90)Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClF3NO2/c1-20(28-17-8-6-16(22)7-9-17)10-12-26(13-11-20)14-15-27-19-5-3-2-4-18(19)21(23,24)25/h2-9H,10-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580134
(US11498896, Compound 91) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580135
(US11498896, Compound 96) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580137
(US11498896, Compound 99) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580140
(US11498896, Compound 102a) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580143
(US11498896, Compound 112)Show SMILES CN(c1ccccc1)C1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580145
(US11498896, Compound 122)Show SMILES CC1(CCN(CCOc2cc(F)ccc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580151
(US11498896, Compound 144) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580152
(US11498896, Compound 157)Show SMILES CC1(CCN(CCOc2ccc(F)cc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580155
(US11498896, Compound 204b) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580157
(US11498896, Compound 205) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580158
(US11498896, Compound 206)Show SMILES CC1(CCN(C[C@H]2COc3ccccc3O2)CC1)C(=O)N1CCCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580159
(US11498896, Compound 208) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580160
(US11498896, Compound 209)Show SMILES CC1(CCN(C[C@H]2COc3ccccc3O2)CC1)NC(=O)C1CC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50572983
(CHEMBL4848846)Show SMILES C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00507 BindingDB Entry DOI: 10.7270/Q26977DH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50189903
(CHEMBL3828396 | US11572368, Compound 54)Show InChI InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM178100
(BRD3308 | US11377423, Cmpd 1)Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10E+3 | -30.2 | 1.08E+3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580154
(US11498896, Compound 202b) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50518027
(CHEMBL4550815 | US11498896, Compound 1)Show InChI InChI=1S/C19H22ClNO2/c1-19(23-18-9-7-16(20)8-10-18)11-12-21(15-19)13-14-22-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580126
(US11498896, Compound 54) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580127
(US11498896, Compound 55) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this Ligand-Target Pair | |