Found 50 hits of Enzyme Inhibition Constant Data 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 6
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25162
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2 | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25159
(CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275642
(2,2,2-trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275603
(2,2,2-trifluoro-1-(5-(4-(3-methoxyphenyl)piperazin...)Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3S/c1-26-13-4-2-3-12(11-13)22-7-9-23(10-8-22)17(25)15-6-5-14(27-15)16(24)18(19,20)21/h2-6,11H,7-10H2,1H3 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275639
(1-(5-(4-(5-chloro-2-methoxyphenyl)piperazine-1-car...)Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3 | 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 | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275675
(CHEMBL519738 | N-(2-chlorobenzyl)-5-(2,2,2-trifluo...)Show InChI InChI=1S/C14H9ClF3NO2S/c15-9-4-2-1-3-8(9)7-19-13(21)11-6-5-10(22-11)12(20)14(16,17)18/h1-6H,7H2,(H,19,21) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25157
(CHEMBL462209 | N-benzyl-N-methyl-5-(2,2,2-trifluor...)Show InChI InChI=1S/C15H12F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8H,9H2,1H3 | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275641
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21) | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25164
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1 Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2 | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275640
(CHEMBL485967 | N-(1-(naphthalen-1-yl)ethyl)-5-(2,2...)Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25) | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275676
(2,2,2-trifluoro-1-(2-(indoline-1-carbonyl)thiazol-...)Show InChI InChI=1S/C14H9F3N2O2S/c15-14(16,17)11(20)10-7-18-12(22-10)13(21)19-6-5-8-3-1-2-4-9(8)19/h1-4,7H,5-6H2 | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50275675
(CHEMBL519738 | N-(2-chlorobenzyl)-5-(2,2,2-trifluo...)Show InChI InChI=1S/C14H9ClF3NO2S/c15-9-4-2-1-3-8(9)7-19-13(21)11-6-5-10(22-11)12(20)14(16,17)18/h1-6H,7H2,(H,19,21) | 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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25157
(CHEMBL462209 | N-benzyl-N-methyl-5-(2,2,2-trifluor...)Show InChI InChI=1S/C15H12F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8H,9H2,1H3 | 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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25184
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-pyrrol...)Show SMILES FC(F)(F)C(=O)c1ccc([nH]1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C15H11F3N2O2/c16-15(17,18)13(21)10-5-6-11(19-10)14(22)20-8-7-9-3-1-2-4-12(9)20/h1-6,19H,7-8H2 | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50246037
(2,2,2-trifluoro-1-(5-(3-methyl-1,2,4-oxadiazol-5-y...)Show InChI InChI=1S/C9H5F3N2O2S/c1-4-13-8(16-14-4)6-3-2-5(17-6)7(15)9(10,11)12/h2-3H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | 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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50275640
(CHEMBL485967 | N-(1-(naphthalen-1-yl)ethyl)-5-(2,2...)Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25) | 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 | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50275640
(CHEMBL485967 | N-(1-(naphthalen-1-yl)ethyl)-5-(2,2...)Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25) | 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 | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25157
(CHEMBL462209 | N-benzyl-N-methyl-5-(2,2,2-trifluor...)Show InChI InChI=1S/C15H12F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8H,9H2,1H3 | 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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50275642
(2,2,2-trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25162
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275640
(CHEMBL485967 | N-(1-(naphthalen-1-yl)ethyl)-5-(2,2...)Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25162
(1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2...)Show InChI InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2 | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50275641
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50275676
(2,2,2-trifluoro-1-(2-(indoline-1-carbonyl)thiazol-...)Show InChI InChI=1S/C14H9F3N2O2S/c15-14(16,17)11(20)10-7-18-12(22-10)13(21)19-6-5-8-3-1-2-4-9(8)19/h1-4,7H,5-6H2 | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50275641
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275639
(1-(5-(4-(5-chloro-2-methoxyphenyl)piperazine-1-car...)Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275639
(1-(5-(4-(5-chloro-2-methoxyphenyl)piperazine-1-car...)Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50275642
(2,2,2-trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2 | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275641
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes in presence of 10% fetal bovine serum |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50275677
(CHEMBL519739 | N-(cyclohexylmethyl)-5-(2,2,2-trifl...)Show InChI InChI=1S/C15H17F3N2O2/c16-15(17,18)13(21)11-6-7-12(19-9-11)14(22)20-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,20,22) | 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 | 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50275639
(1-(5-(4-(5-chloro-2-methoxyphenyl)piperazine-1-car...)Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3 | 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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25164
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1 Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2 | 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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275603
(2,2,2-trifluoro-1-(5-(4-(3-methoxyphenyl)piperazin...)Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3S/c1-26-13-4-2-3-12(11-13)22-7-9-23(10-8-22)17(25)15-6-5-14(27-15)16(24)18(19,20)21/h2-6,11H,7-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275642
(2,2,2-trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275642
(2,2,2-trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes in presence of 10% fetal bovine serum |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25159
(CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25164
(2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1 Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2 | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50246037
(2,2,2-trifluoro-1-(5-(3-methyl-1,2,4-oxadiazol-5-y...)Show InChI InChI=1S/C9H5F3N2O2S/c1-4-13-8(16-14-4)6-3-2-5(17-6)7(15)9(10,11)12/h2-3H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275603
(2,2,2-trifluoro-1-(5-(4-(3-methoxyphenyl)piperazin...)Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3S/c1-26-13-4-2-3-12(11-13)22-7-9-23(10-8-22)17(25)15-6-5-14(27-15)16(24)18(19,20)21/h2-6,11H,7-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes in presence of 10% fetal bovine serum |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275603
(2,2,2-trifluoro-1-(5-(4-(3-methoxyphenyl)piperazin...)Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3S/c1-26-13-4-2-3-12(11-13)22-7-9-23(10-8-22)17(25)15-6-5-14(27-15)16(24)18(19,20)21/h2-6,11H,7-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275642
(2,2,2-trifluoro-1-(5-(4-(5-phenyl-1,3,4-oxadiazol-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)16(27)14-6-7-15(30-14)19(28)26-10-8-13(9-11-26)18-25-24-17(29-18)12-4-2-1-3-5-12/h1-7,13H,8-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25159
(CHEMBL462208 | N-[(1S)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50275639
(1-(5-(4-(5-chloro-2-methoxyphenyl)piperazine-1-car...)Show SMILES COc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C18H16ClF3N2O3S/c1-27-13-3-2-11(19)10-12(13)23-6-8-24(9-7-23)17(26)15-5-4-14(28-15)16(25)18(20,21)22/h2-5,10H,6-9H2,1H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275641
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275640
(CHEMBL485967 | N-(1-(naphthalen-1-yl)ethyl)-5-(2,2...)Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275641
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275640
(CHEMBL485967 | N-(1-(naphthalen-1-yl)ethyl)-5-(2,2...)Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human hepatocytes in presence of 10% fetal bovine serum |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |