Found 108 hits with Last Name = 'gilissen' and Initial = 'r' 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 11
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC11 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC10 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC4 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC5 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50043378
(CHEMBL3355064)Show SMILES FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1 Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)23-15-22(6-5-20(23)17-30-11-9-28-10-12-30)31-13-1-2-18-3-4-19-7-8-29-16-21(19)14-18/h3-8,14-16,28H,9-13,17H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC2 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC3 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC2 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Flt1 (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MELK (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273805
(CHEMBL4127623)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cccnc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(23-8-9-23)32-15-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)22-6-3-20(4-7-22)24-10-5-21-2-1-14-30-25(21)16-24/h1-7,10,14,16,19,23H,8-9,11-13,15,17-18H2/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273870
(CHEMBL4126247)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cnccc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(22-5-6-22)32-14-10-19(17-32)18-33-26(31-29(11-12-29)28(33)35)21-3-1-20(2-4-21)23-7-8-25-16-30-13-9-24(25)15-23/h1-4,7-9,13,15-16,19,22H,5-6,10-12,14,17-18H2/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC11 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273886
(CHEMBL4129012)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC3(CC3)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1 |r,t:16| Show InChI InChI=1S/C28H28FN5O2/c1-32-24-7-5-19(12-21(24)14-30-32)20-4-6-22(23(29)13-20)25-31-28(9-10-28)27(36)34(25)16-17-8-11-33(15-17)26(35)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | KEGG
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC5 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273809
(CHEMBL4127804)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc(cc2)-c2ccncc2)C1 |r,c:18| Show InChI InChI=1S/C31H30N4O2/c36-29(27-9-10-27)34-18-13-21(19-34)20-35-28(33-31(14-15-31)30(35)37)26-7-5-23(6-8-26)22-1-3-24(4-2-22)25-11-16-32-17-12-25/h1-8,11-12,16-17,21,27H,9-10,13-15,18-20H2/t21-/m1/s1 | PDB
MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273869
(CHEMBL4127964)Show SMILES Fc1ccc2cc(ccc2c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:20| Show InChI InChI=1S/C30H28FN3O2/c31-26-10-9-24-15-23(7-8-25(24)16-26)20-1-3-21(4-2-20)27-32-30(12-13-30)29(36)34(27)18-19-11-14-33(17-19)28(35)22-5-6-22/h1-4,7-10,15-16,19,22H,5-6,11-14,17-18H2/t19-/m1/s1 | PDB
MMDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC8 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273831
(CHEMBL4128143)Show SMILES CC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19| Show InChI InChI=1S/C29H29N3O3/c1-28(10-11-28)26(33)31-14-8-19(17-31)18-32-25(30-29(12-13-29)27(32)34)21-4-2-20(3-5-21)22-6-7-24-23(16-22)9-15-35-24/h2-7,9,15-16,19H,8,10-14,17-18H2,1H3/t19-/m1/s1 | PDB
MMDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273812
(CHEMBL4125752)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1 | PDB
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| PC cid
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC9 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Yes1 (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Flt4 (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273900
(CHEMBL4128261)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19| Show InChI InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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UniChem
Patents
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC8 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC3 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273872
(CHEMBL4129575)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3[nH]ncc3c2)C1 |r,c:18| Show InChI InChI=1S/C27H27N5O2/c33-25(20-5-6-20)31-12-9-17(15-31)16-32-24(29-27(10-11-27)26(32)34)19-3-1-18(2-4-19)21-7-8-23-22(13-21)14-28-30-23/h1-4,7-8,13-14,17,20H,5-6,9-12,15-16H2,(H,28,30)/t17-/m1/s1 | PDB
MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273901
(CHEMBL4129431)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2cccc3[nH]ncc23)C1 |r,c:18| Show InChI InChI=1S/C27H27N5O2/c33-25(20-8-9-20)31-13-10-17(15-31)16-32-24(29-27(11-12-27)26(32)34)19-6-4-18(5-7-19)21-2-1-3-23-22(21)14-28-30-23/h1-7,14,17,20H,8-13,15-16H2,(H,28,30)/t17-/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273843
(CHEMBL4126768)Show SMILES OC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19| Show InChI InChI=1S/C28H27N3O4/c32-25-27(9-10-27)29-24(31(25)17-18-7-13-30(16-18)26(33)28(34)11-12-28)20-3-1-19(2-4-20)21-5-6-23-22(15-21)8-14-35-23/h1-6,8,14-15,18,34H,7,9-13,16-17H2/t18-/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50043341
(CHEMBL3355059)Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MELK (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Maternal embryonic leucine zipper kinase
(Homo sapiens (Human)) | BDBM50043341
(CHEMBL3355059)Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis |
ACS Med Chem Lett 6: 25-30 (2015)
Article DOI: 10.1021/ml5001245
BindingDB Entry DOI: 10.7270/Q29P3388 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC9 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273846
(CHEMBL4126984)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2c[nH]c3ccccc23)C1 |r,c:18| Show InChI InChI=1S/C28H28N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21,29H,9-14,16-17H2/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273871
(CHEMBL4126126)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3scnc3c2)C1 |r,c:18| Show InChI InChI=1S/C27H26N4O2S/c32-25(20-5-6-20)30-12-9-17(14-30)15-31-24(29-27(10-11-27)26(31)33)19-3-1-18(2-4-19)21-7-8-23-22(13-21)28-16-34-23/h1-4,7-8,13,16-17,20H,5-6,9-12,14-15H2/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50304783
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC10 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC7 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273797
(CHEMBL4126304)Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:18| Show InChI InChI=1S/C28H27N3O3/c32-26(21-5-6-21)30-13-9-18(16-30)17-31-25(29-28(11-12-28)27(31)33)20-3-1-19(2-4-20)22-7-8-24-23(15-22)10-14-34-24/h1-4,7-8,10,14-15,18,21H,5-6,9,11-13,16-17H2/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273798
(CHEMBL4129046)Show SMILES Clc1cccc(c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:15| Show InChI InChI=1S/C26H26ClN3O2/c27-22-3-1-2-21(14-22)18-4-6-19(7-5-18)23-28-26(11-12-26)25(32)30(23)16-17-10-13-29(15-17)24(31)20-8-9-20/h1-7,14,17,20H,8-13,15-16H2/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50043380
(CHEMBL3355065)Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 (unknown origin) |
ACS Med Chem Lett 6: 31-6 (2015)
Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273807
(CHEMBL4127608)Show SMILES Cc1cc(ccc1C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)-c1ccc2n(C)ncc2c1 |r,t:8| Show InChI InChI=1S/C29H31N5O2/c1-18-13-21(22-6-8-25-23(14-22)15-30-32(25)2)5-7-24(18)26-31-29(10-11-29)28(36)34(26)17-19-9-12-33(16-19)27(35)20-3-4-20/h5-8,13-15,19-20H,3-4,9-12,16-17H2,1-2H3/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273812
(CHEMBL4125752)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human FASN KR-domain after 20 mins in presence of NADPH |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50304782
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Ortho-Biotech Oncology Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC6 |
Bioorg Med Chem Lett 20: 294-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273892
(CHEMBL4127027)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1CC1CN(C1)C(=O)C1CC1 |t:19| Show InChI InChI=1S/C27H27N5O2/c1-30-23-9-8-21(12-22(23)13-28-30)18-2-4-19(5-3-18)24-29-27(10-11-27)26(34)32(24)16-17-14-31(15-17)25(33)20-6-7-20/h2-5,8-9,12-13,17,20H,6-7,10-11,14-16H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273836
(CHEMBL4129242)Show SMILES O=C([C@@H]1CCCO1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:20| Show InChI InChI=1S/C29H29N3O4/c33-27(25-2-1-14-35-25)31-13-9-19(17-31)18-32-26(30-29(11-12-29)28(32)34)21-5-3-20(4-6-21)22-7-8-24-23(16-22)10-15-36-24/h3-8,10,15-16,19,25H,1-2,9,11-14,17-18H2/t19-,25+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50273890
(CHEMBL4129240)Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CCCC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19| Show InChI InChI=1S/C30H33N5O2/c1-33-26-11-10-24(16-25(26)17-31-33)21-4-6-22(7-5-21)27-32-30(13-2-3-14-30)29(37)35(27)19-20-12-15-34(18-20)28(36)23-8-9-23/h4-7,10-11,16-17,20,23H,2-3,8-9,12-15,18-19H2,1H3/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass... |
Bioorg Med Chem Lett 28: 2159-2164 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW |
More data for this
Ligand-Target Pair | |
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