Found 85 hits with Last Name = 'smith' and Initial = 'wb' 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 8
(Homo sapiens (Human)) | BDBM50534338
(CHEMBL4534486)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N4O2/c27-22(24-28)20(15-17-7-3-1-4-8-17)26-19(14-13-16-11-12-16)21(23-25-26)18-9-5-2-6-10-18/h1-10,16,20,28H,11-12,15H2,(H,24,27)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098416
(CHEMBL3593407)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098420
(CHEMBL3593411)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098420
(CHEMBL3593411)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098416
(CHEMBL3593407)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098418
(CHEMBL3593409)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534343
(CHEMBL4529036)Show SMILES COc1cc(OC)cc(c1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r| Show InChI InChI=1S/C24H24N4O4/c1-31-19-13-18(14-20(15-19)32-2)23-21(11-10-16-8-9-16)28(27-25-23)22(24(29)26-30)12-17-6-4-3-5-7-17/h3-7,13-16,22,30H,8-9,12H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098418
(CHEMBL3593409)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098416
(CHEMBL3593407)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534347
(CHEMBL4476253)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(-c2ccsc2)c1C#CC1CC1 |r| Show InChI InChI=1S/C20H18N4O2S/c25-20(22-26)18(12-15-4-2-1-3-5-15)24-17(9-8-14-6-7-14)19(21-23-24)16-10-11-27-13-16/h1-5,10-11,13-14,18,26H,6-7,12H2,(H,22,25)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098418
(CHEMBL3593409)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098420
(CHEMBL3593411)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534337
(CHEMBL4566086)Show SMILES ONC(=O)[C@H](Cc1c[nH]c2ccccc12)n1nnc(c1C#CC1CC1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N5O2/c30-24(27-31)22(14-18-15-25-20-9-5-4-8-19(18)20)29-21(13-12-16-10-11-16)23(26-28-29)17-6-2-1-3-7-17/h1-9,15-16,22,25,31H,10-11,14H2,(H,27,30)/t22-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50441497
(CHEMBL2436595)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O5S2/c1-12(2)17-19(27)30-13(6-4-5-7-31)8-15(26)22-9-16-23-14(10-29-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,31H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrat... |
Bioorg Med Chem Lett 23: 6025-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.012 BindingDB Entry DOI: 10.7270/Q2Q241PQ |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534342
(CHEMBL4441146)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#CC1CC1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H19ClN4O2/c23-18-8-4-7-17(14-18)21-19(12-11-15-9-10-15)27(26-24-21)20(22(28)25-29)13-16-5-2-1-3-6-16/h1-8,14-15,20,29H,9-10,13H2,(H,25,28)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534339
(CHEMBL4593948)Show SMILES ONC(=O)[C@H](Cc1ccccc1)n1nnc(c1C#Cc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H20N4O2/c30-25(27-31)23(18-20-12-6-2-7-13-20)29-22(17-16-19-10-4-1-5-11-19)24(26-28-29)21-14-8-3-9-15-21/h1-15,23,31H,18H2,(H,27,30)/t23-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by sub... |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098424
(CHEMBL3593415)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098424
(CHEMBL3593415)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098424
(CHEMBL3593415)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50210164
(CHEMBL2132936)Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of [3H]-Nalpha-methylhistamine binding to H3 receptor in guinea-pig brain membranes |
Citation and Details
Article DOI: 10.1038/nature09504 BindingDB Entry DOI: 10.7270/Q2R78JST |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50098420
(CHEMBL3593411)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098422
(CHEMBL3593413)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098422
(CHEMBL3593413)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50098418
(CHEMBL3593409)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098422
(CHEMBL3593413)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50098420
(CHEMBL3593411)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50098416
(CHEMBL3593407)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534341
(CHEMBL4526387)Show SMILES CC(C)(C)c1ccc(cc1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r| Show InChI InChI=1S/C26H28N4O2/c1-26(2,3)21-14-12-20(13-15-21)24-22(16-11-18-9-10-18)30(29-27-24)23(25(31)28-32)17-19-7-5-4-6-8-19/h4-8,12-15,18,23,32H,9-10,17H2,1-3H3,(H,28,31)/t23-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534346
(CHEMBL4530273)Show SMILES CCCCCc1c(nnn1[C@@H](Cc1ccccc1)C(=O)NO)-c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O2/c1-2-3-6-15-19-21(18-13-9-5-10-14-18)23-25-26(19)20(22(27)24-28)16-17-11-7-4-8-12-17/h4-5,7-14,20,28H,2-3,6,15-16H2,1H3,(H,24,27)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50322422
(CHEMBL1173445 | Largazole)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098417
(CHEMBL3593408)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27| Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50098414
(CHEMBL3593247)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50098416
(CHEMBL3593407)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1 | 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
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098419
(CHEMBL3593410)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27| Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-13-26(37)41-16-11-10-12-24-18-25(36)33-19-23-17-22(14-15-32-23)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-24/h10,12,14-15,17,21,24,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,36)(H,34,39)/b12-10+/t24-,27+,31+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098421
(CHEMBL3593412)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27| Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-16-26(38)41-17-11-10-13-22-18-25(37)32-19-23-14-12-15-24(33-23)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-22/h10,12-15,21-22,27H,5-9,11,16-20H2,1-4H3,(H,32,37)(H,34,39)(H,35,40)/b13-10+/t22-,27+,31+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50098417
(CHEMBL3593408)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27| Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098421
(CHEMBL3593412)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27| Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-16-26(38)41-17-11-10-13-22-18-25(37)32-19-23-14-12-15-24(33-23)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-22/h10,12-15,21-22,27H,5-9,11,16-20H2,1-4H3,(H,32,37)(H,34,39)(H,35,40)/b13-10+/t22-,27+,31+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50098419
(CHEMBL3593410)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27| Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-13-26(37)41-16-11-10-12-24-18-25(36)33-19-23-17-22(14-15-32-23)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-24/h10,12,14-15,17,21,24,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,36)(H,34,39)/b12-10+/t24-,27+,31+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50098418
(CHEMBL3593409)Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C23H30N4O4S2/c1-14(2)19-21(29)31-16(8-4-5-10-32)11-18(28)24-12-15-7-6-9-17(25-15)20-27-23(3,13-33-20)22(30)26-19/h4,6-9,14,16,19,32H,5,10-13H2,1-3H3,(H,24,28)(H,26,30)/b8-4+/t16-,19+,23+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 341 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098417
(CHEMBL3593408)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:27| Show InChI InChI=1S/C31H44N4O5S2/c1-5-6-7-8-9-16-26(37)41-17-11-10-14-23-18-25(36)32-19-22-13-12-15-24(33-22)28-35-31(4,20-42-28)30(39)34-27(21(2)3)29(38)40-23/h10,12-15,21,23,27H,5-9,11,16-20H2,1-4H3,(H,32,36)(H,34,39)/b14-10+/t23-,27+,31+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50534340
(CHEMBL4591041)Show SMILES CCC\C=C\c1c(nnn1[C@@H](Cc1ccccc1)C(=O)NO)-c1ccccc1 |r| Show InChI InChI=1S/C22H24N4O2/c1-2-3-6-15-19-21(18-13-9-5-10-14-18)23-25-26(19)20(22(27)24-28)16-17-11-7-4-8-12-17/h4-15,20,28H,2-3,16H2,1H3,(H,24,27)/b15-6+/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay |
ACS Med Chem Lett 7: 929-932 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00239 BindingDB Entry DOI: 10.7270/Q2QC0718 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50098421
(CHEMBL3593412)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1 |r,t:27| Show InChI InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-16-26(38)41-17-11-10-13-22-18-25(37)32-19-23-14-12-15-24(33-23)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-22/h10,12-15,21-22,27H,5-9,11,16-20H2,1-4H3,(H,32,37)(H,34,39)(H,35,40)/b13-10+/t22-,27+,31+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 472 | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu... |
Bioorg Med Chem 23: 5061-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.063 BindingDB Entry DOI: 10.7270/Q2XP76QF |
More data for this Ligand-Target Pair | |