Found 170 hits with Last Name = 'madriaga' and Initial = 'a' 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 3
(Homo sapiens (Human)) | BDBM50356634
(CHEMBL1914702)Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50356635
(CHEMBL1914708)Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1 Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50299972
(CHEMBL585164 | Octanedioic Acid [4-(3-Azido-5-azid...)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H26N8O4/c23-29-25-14-16-11-17(13-19(12-16)27-30-24)15-34-20-9-7-18(8-10-20)26-21(31)5-3-1-2-4-6-22(32)28-33/h7-13,33H,1-6,14-15H2,(H,26,31)(H,28,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500324
(CHEMBL3747448)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C25H25N5O/c1-16-14-20-18(23(26)31)11-7-13-22(20)30(16)25-28-21-12-6-5-10-19(21)24(29-25)27-15-17-8-3-2-4-9-17/h2-4,7-9,11,13-14H,5-6,10,12,15H2,1H3,(H2,26,31)(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
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 |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500325
(Cb 5083 | Cb-5083)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500319
(CHEMBL3746179)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)-c1nnn[nH]1 Show InChI InChI=1S/C24H23N9/c1-15-12-18-17(23-29-31-32-30-23)8-5-9-21(18)33(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28)(H,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50356635
(CHEMBL1914708)Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1 Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500347
(CHEMBL3747049)Show SMILES Cc1cc2c(cccc2n1-c1nc2COCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-19-17(22(25)30)8-5-9-21(19)29(15)24-27-20-14-31-11-10-18(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500310
(CHEMBL3747647)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163143
(US9062026, Table III, Compound 71)Show InChI InChI=1S/C24H24N4O/c1-29-22-15-18-11-5-8-14-21(18)28(22)24-26-20-13-7-6-12-19(20)23(27-24)25-16-17-9-3-2-4-10-17/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50356634
(CHEMBL1914702)Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163134
(US9062026, Table III, Compound 62)Show InChI InChI=1S/C24H24N4/c1-17-15-19-11-5-8-14-22(19)28(17)24-26-21-13-7-6-12-20(21)23(27-24)25-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50232053
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163144
(US9062026, Table III, Compound 72)Show InChI InChI=1S/C24H24N4O/c29-16-19-14-18-10-4-7-13-22(18)28(19)24-26-21-12-6-5-11-20(21)23(27-24)25-15-17-8-2-1-3-9-17/h1-4,7-10,13-14,29H,5-6,11-12,15-16H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387965
(CHEMBL2057824)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500321
(CHEMBL3745888)Show SMILES Cc1cc2c(cccc2n1-c1nc2CNCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C24H24N6O/c1-15-12-19-17(22(25)31)8-5-9-21(19)30(15)24-28-20-14-26-11-10-18(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500323
(CHEMBL3746353)Show InChI InChI=1S/C23H23N5O/c1-29-23-26-19-13-7-8-14-20(19)28(23)22-25-18-12-6-5-11-17(18)21(27-22)24-15-16-9-3-2-4-10-16/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500318
(CHEMBL3746650)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(23(30)31)8-5-9-21(18)29(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,30,31)(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500339
(CHEMBL3747498)Show InChI InChI=1S/C23H23N5/c1-16-25-20-13-7-8-14-21(20)28(16)23-26-19-12-6-5-11-18(19)22(27-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387965
(CHEMBL2057824)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1 Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50356635
(CHEMBL1914708)Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1 Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31) | 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 | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387967
(CHEMBL2057823)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25) | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50232053
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500316
(CHEMBL3746000)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N Show InChI InChI=1S/C24H22N6/c1-16-12-19-18(13-25)8-5-9-22(19)30(16)24-28-21-10-11-26-15-20(21)23(29-24)27-14-17-6-3-2-4-7-17/h2-9,12,26H,10-11,14-15H2,1H3,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163082
(US9062026, Table III, Compound 10)Show SMILES COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 Show InChI InChI=1S/C24H21N5O2/c1-30-20-14-8-11-17-21(20)27-23(28-22(17)25-15-16-9-4-3-5-10-16)29-19-13-7-6-12-18(19)26-24(29)31-2/h3-14H,15H2,1-2H3,(H,25,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500337
(CHEMBL3747075)Show SMILES Cc1[nH]c2ccccc2c1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C24H24N4/c1-16-22(18-11-5-7-13-20(18)26-16)24-27-21-14-8-6-12-19(21)23(28-24)25-15-17-9-3-2-4-10-17/h2-5,7,9-11,13,26H,6,8,12,14-15H2,1H3,(H,25,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163080
(US9062026, Table III, Compound 8)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12 Show InChI InChI=1S/C24H21N5O/c1-16-26-19-12-6-7-13-20(19)29(16)24-27-22-18(11-8-14-21(22)30-2)23(28-24)25-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,25,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163136
(US9062026, Table III, Compound 64 | US9062026, Tab...)Show InChI InChI=1S/C24H25N5/c25-15-19-14-18-10-4-7-13-22(18)29(19)24-27-21-12-6-5-11-20(21)23(28-24)26-16-17-8-2-1-3-9-17/h1-4,7-10,13-14H,5-6,11-12,15-16,25H2,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163092
(US9062026, Table III, Compound 20)Show InChI InChI=1S/C20H16N6OS/c1-27-20-23-14-9-5-6-10-15(14)26(20)19-24-17(16-18(25-19)28-12-22-16)21-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163115
(US9062026, Table III, Compound 43)Show InChI InChI=1S/C23H23N5/c1-16-13-18-9-5-6-10-21(18)28(16)23-26-20-11-12-24-15-19(20)22(27-23)25-14-17-7-3-2-4-8-17/h2-10,13,24H,11-12,14-15H2,1H3,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387967
(CHEMBL2057823)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1 Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25) | 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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500320
(CHEMBL3747639)Show SMILES CNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C25H26N6O/c1-16-13-19-18(24(32)26-2)9-6-10-22(19)31(16)25-29-21-11-12-27-15-20(21)23(30-25)28-14-17-7-4-3-5-8-17/h3-10,13,27H,11-12,14-15H2,1-2H3,(H,26,32)(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163098
(US9062026, Table III, Compound 26)Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(nc2ccccc12)N(C)C Show InChI InChI=1S/C25H24N6O/c1-30(2)25-27-19-13-7-8-14-20(19)31(25)24-28-22-18(12-9-15-21(22)32-3)23(29-24)26-16-17-10-5-4-6-11-17/h4-15H,16H2,1-3H3,(H,26,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163097
(US9062026, Table III, Compound 25)Show SMILES CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 Show InChI InChI=1S/C24H22N6O/c1-25-23-27-18-12-6-7-13-19(18)30(23)24-28-21-17(11-8-14-20(21)31-2)22(29-24)26-15-16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,25,27)(H,26,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500312
(CHEMBL3746787)Show InChI InChI=1S/C23H23N5/c1-16-21(28-14-8-7-13-20(28)25-16)23-26-19-12-6-5-11-18(19)22(27-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500324
(CHEMBL3747448)Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(N)=O Show InChI InChI=1S/C25H25N5O/c1-16-14-20-18(23(26)31)11-7-13-22(20)30(16)25-28-21-12-6-5-10-19(21)24(29-25)27-15-17-8-3-2-4-9-17/h2-4,7-9,11,13-14H,5-6,10,12,15H2,1H3,(H2,26,31)(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of p97 ATPase in human A549 cells assessed as reduction in p62 protein incubated for 6 hrs by immunofluorescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387973
(CHEMBL2057822)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1cccs1 Show InChI InChI=1S/C27H23N9O3S/c28-23-8-7-21(25-2-1-9-40-25)13-24(23)33-26(37)20-5-3-17(4-6-20)14-31-27(38)39-16-19-10-18(15-32-35-29)11-22(12-19)34-36-30/h1-13H,14-16,28H2,(H,31,38)(H,33,37) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500335
(CHEMBL3746988)Show SMILES COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12 Show InChI InChI=1S/C26H25N5O2/c1-18-28-21-12-6-7-13-22(21)31(18)26-29-24-20(11-8-14-23(24)33-16-15-32-2)25(30-26)27-17-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3,(H,27,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387966
(CHEMBL2057820)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500309
(CHEMBL3745805)Show SMILES Cc1cc2c(F)cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C23H22FN5/c1-15-12-17-19(24)8-5-9-21(17)29(15)23-27-20-10-11-25-14-18(20)22(28-23)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387964
(CHEMBL2057821)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1ccccc1 Show InChI InChI=1S/C29H25N9O3/c30-26-11-10-24(22-4-2-1-3-5-22)15-27(26)35-28(39)23-8-6-19(7-9-23)16-33-29(40)41-18-21-12-20(17-34-37-31)13-25(14-21)36-38-32/h1-15H,16-18,30H2,(H,33,40)(H,35,39) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50232053
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu... |
Bioorg Med Chem Lett 22: 5025-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.017 BindingDB Entry DOI: 10.7270/Q2F76DNT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500307
(CHEMBL3746833)Show InChI InChI=1S/C23H23N5/c1-16-21(20-13-7-8-14-28(20)27-16)23-25-19-12-6-5-11-18(19)22(26-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM163139
(US9062026, Table III, Compound 67)Show SMILES COCCOc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(OC)nc2ccccc12 Show InChI InChI=1S/C26H25N5O3/c1-32-15-16-34-22-14-8-11-19-23(22)29-25(30-24(19)27-17-18-9-4-3-5-10-18)31-21-13-7-6-12-20(21)28-26(31)33-2/h3-14H,15-17H2,1-2H3,(H,27,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50500331
(CHEMBL3220939)Show SMILES ClCC(=O)Nc1cccc(NC2=NS(=O)(=O)c3ccccc23)c1 |t:11| Show InChI InChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Cleave Biosciences Inc.
Curated by ChEMBL
| Assay Description Inhibition of p97 ATPase (unknown origin) |
J Med Chem 58: 9480-97 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01346 BindingDB Entry DOI: 10.7270/Q2KW5K2P |
More data for this Ligand-Target Pair | |