Found 128 hits with Last Name = 'haines' and Initial = 'e' 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)) | 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 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 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 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 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 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 | |
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 | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636823
(US20230382863, Compound I-86)Show SMILES Cc1c(Oc2cccc(N)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636812
(US20230382863, Compound I-38)Show SMILES CNS(=O)(=O)Nc1c(F)ccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636813
(US20230382863, Compound I-39)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC2CC2)c1Cl | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636814
(US20230382863, Compound I-42)Show SMILES Cc1c(Oc2cccc(NS(=O)(=O)NC3CC3)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636815
(US20230382863, Compound I-43)Show SMILES CCNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636816
(US20230382863, Compound I-45)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC(F)(F)F)c1Cl | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636817
(US20230382863, Compound I-46)Show SMILES Cc1c(Oc2cccc(NS(=O)(=O)NCC(F)(F)F)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636790
(US20230382863, Compound I-62)Show SMILES Cc1c(Nc2ccc3NS(=O)(=O)NCc3c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636818
(US20230382863, Compound I-55)Show SMILES COCCNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636787
(US20230382863, Compound I-7 | US20230382863, Compo...)Show SMILES Cc1c(Oc2cccc(c2)N=[S@@](C)(N)=O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636788
(US20230382863, Compound I-8)Show SMILES Cc1c(Oc2cccc(c2)N=[S@](C)(N)=O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636787
(US20230382863, Compound I-7 | US20230382863, Compo...)Show SMILES Cc1c(Oc2cccc(c2)N=[S@@](C)(N)=O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636793
(US20230382863, Compound I-12)Show SMILES CNS(=O)(=O)n1ccc2c(Oc3c(C)c(=O)n(C)c(Nc4ccc(I)cc4F)c3C(=O)NC3CC3)cccc12 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636792
(US20230382863, Compound I-11)Show SMILES CN(C)S(=O)(=O)Cc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636791
(US20230382863, Compound I-10)Show SMILES CNS(=O)(=O)Nc1cc(F)cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636781
(US20230382863, Compound I-1)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1OC | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636782
(US20230382863, Compound I-2)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636783
(US20230382863, Compound I-3)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1C | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636784
(US20230382863, Compound I-4)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1F | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636785
(US20230382863, Compound I-5)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM636786
(US20230382863, Compound I-6)Show SMILES Cc1c(Oc2cccc(NS(N)(=O)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 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 | |
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