Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50011127 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 |
|---|
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50545151
(CHEMBL4642383)Show SMILES Nc1ccc(F)cc1NC(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H25F2N5O3/c29-18-6-8-23(31)25(15-18)32-26(36)17-9-11-35(12-10-17)28(38)21-13-16(5-7-22(21)30)14-24-19-3-1-2-4-20(19)27(37)34-33-24/h1-8,13,15,17H,9-12,14,31H2,(H,32,36)(H,34,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50545150
(CHEMBL4639985)Show SMILES Nc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H26FN5O3/c29-22-10-9-17(16-25-19-5-1-2-6-20(19)27(36)33-32-25)15-21(22)28(37)34-13-11-18(12-14-34)26(35)31-24-8-4-3-7-23(24)30/h1-10,15,18H,11-14,16,30H2,(H,31,35)(H,33,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50545152
(CHEMBL4637848)Show SMILES Nc1cc(F)ccc1NC(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H25F2N5O3/c29-18-6-8-24(23(31)15-18)32-26(36)17-9-11-35(12-10-17)28(38)21-13-16(5-7-22(21)30)14-25-19-3-1-2-4-20(19)27(37)34-33-25/h1-8,13,15,17H,9-12,14,31H2,(H,32,36)(H,34,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50545149
(CHEMBL4636062)Show SMILES Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H28FN5O3/c29-22-14-13-18(17-25-19-8-3-4-9-20(19)28(37)34-33-25)16-21(22)27(36)31-15-7-1-2-12-26(35)32-24-11-6-5-10-23(24)30/h3-6,8-11,13-14,16H,1-2,7,12,15,17,30H2,(H,31,36)(H,32,35)(H,34,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545160
(CHEMBL4639901)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1 Show InChI InChI=1S/C30H24FN5O3/c31-24-14-11-19(16-27-21-5-1-2-6-22(21)30(39)36-35-27)15-23(24)29(38)33-17-18-9-12-20(13-10-18)28(37)34-26-8-4-3-7-25(26)32/h1-15H,16-17,32H2,(H,33,38)(H,34,37)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50242817
(CHEMBL4087968)Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1 Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545161
(CHEMBL4635787)Show SMILES Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1 Show InChI InChI=1S/C30H23F2N5O3/c31-20-10-12-26(25(33)15-20)35-28(38)19-8-5-17(6-9-19)16-34-29(39)23-13-18(7-11-24(23)32)14-27-21-3-1-2-4-22(21)30(40)37-36-27/h1-13,15H,14,16,33H2,(H,34,39)(H,35,38)(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545158
(CHEMBL4645040)Show SMILES Nc1ccccc1NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 |r,wU:10.10,wD:13.14,(46.95,-10.98,;46.95,-12.52,;48.28,-13.29,;48.28,-14.83,;46.94,-15.6,;45.61,-14.83,;45.63,-13.29,;44.29,-12.51,;42.96,-13.28,;42.95,-14.82,;41.63,-12.5,;40.29,-13.27,;38.96,-12.5,;38.97,-10.96,;37.64,-10.2,;36.3,-10.97,;34.97,-10.2,;34.97,-8.66,;33.64,-10.97,;32.31,-10.2,;30.98,-10.97,;29.65,-10.19,;29.66,-8.65,;31.01,-7.88,;31.01,-6.33,;29.66,-5.54,;29.66,-4,;28.32,-6.32,;26.98,-5.56,;25.66,-6.33,;25.65,-7.88,;26.99,-8.65,;28.32,-7.88,;30.97,-12.51,;32.3,-13.28,;33.64,-12.52,;34.97,-13.29,;40.29,-10.19,;41.63,-10.96,)| Show InChI InChI=1S/C30H30FN5O3/c31-24-14-11-19(16-27-21-5-1-2-6-22(21)30(39)36-35-27)15-23(24)29(38)33-17-18-9-12-20(13-10-18)28(37)34-26-8-4-3-7-25(26)32/h1-8,11,14-15,18,20H,9-10,12-13,16-17,32H2,(H,33,38)(H,34,37)(H,36,39)/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545149
(CHEMBL4636062)Show SMILES Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H28FN5O3/c29-22-14-13-18(17-25-19-8-3-4-9-20(19)28(37)34-33-25)16-21(22)27(36)31-15-7-1-2-12-26(35)32-24-11-6-5-10-23(24)30/h3-6,8-11,13-14,16H,1-2,7,12,15,17,30H2,(H,31,36)(H,32,35)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545156
(CHEMBL4635211)Show SMILES Nc1ccc(F)cc1NC(=O)CCCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H27F2N5O3/c29-18-10-12-23(31)25(16-18)33-26(36)8-2-1-5-13-32-27(37)21-14-17(9-11-22(21)30)15-24-19-6-3-4-7-20(19)28(38)35-34-24/h3-4,6-7,9-12,14,16H,1-2,5,8,13,15,31H2,(H,32,37)(H,33,36)(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545153
(CHEMBL4646474)Show SMILES Nc1ccccc1NC(=O)CCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C27H26FN5O3/c28-21-13-12-17(16-24-18-7-1-2-8-19(18)27(36)33-32-24)15-20(21)26(35)30-14-6-5-11-25(34)31-23-10-4-3-9-22(23)29/h1-4,7-10,12-13,15H,5-6,11,14,16,29H2,(H,30,35)(H,31,34)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545157
(CHEMBL4633915)Show SMILES Nc1cc(F)ccc1NC(=O)CCCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H27F2N5O3/c29-18-10-12-24(23(31)16-18)33-26(36)8-2-1-5-13-32-27(37)21-14-17(9-11-22(21)30)15-25-19-6-3-4-7-20(19)28(38)35-34-25/h3-4,6-7,9-12,14,16H,1-2,5,8,13,15,31H2,(H,32,37)(H,33,36)(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545150
(CHEMBL4639985)Show SMILES Nc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H26FN5O3/c29-22-10-9-17(16-25-19-5-1-2-6-20(19)27(36)33-32-25)15-21(22)28(37)34-13-11-18(12-14-34)26(35)31-24-8-4-3-7-23(24)30/h1-10,15,18H,11-14,16,30H2,(H,31,35)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545159
(CHEMBL4638228)Show SMILES Nc1cc(F)ccc1NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 |r,wU:11.11,wD:14.15,(73.14,-10.02,;73.15,-11.56,;74.48,-12.33,;74.48,-13.88,;75.81,-14.65,;73.14,-14.64,;71.81,-13.87,;71.82,-12.33,;70.49,-11.56,;69.15,-12.32,;69.15,-13.86,;67.82,-11.55,;66.49,-12.31,;65.16,-11.54,;65.17,-10.01,;63.83,-9.24,;62.5,-10.01,;61.16,-9.24,;61.16,-7.7,;59.83,-10.01,;58.5,-9.24,;57.18,-10.01,;55.85,-9.24,;55.85,-7.7,;57.2,-6.93,;57.2,-5.37,;55.86,-4.59,;55.86,-3.05,;54.52,-5.37,;53.18,-4.6,;51.85,-5.37,;51.85,-6.92,;53.18,-7.69,;54.51,-6.92,;57.16,-11.55,;58.49,-12.33,;59.83,-11.56,;61.16,-12.33,;66.49,-9.23,;67.83,-10.01,)| Show InChI InChI=1S/C30H29F2N5O3/c31-20-10-12-26(25(33)15-20)35-28(38)19-8-5-17(6-9-19)16-34-29(39)23-13-18(7-11-24(23)32)14-27-21-3-1-2-4-22(21)30(40)37-36-27/h1-4,7,10-13,15,17,19H,5-6,8-9,14,16,33H2,(H,34,39)(H,35,38)(H,37,40)/t17-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545154
(CHEMBL4645204)Show SMILES Nc1ccc(F)cc1NC(=O)CCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C27H25F2N5O3/c28-17-9-11-22(30)24(15-17)32-25(35)7-3-4-12-31-26(36)20-13-16(8-10-21(20)29)14-23-18-5-1-2-6-19(18)27(37)34-33-23/h1-2,5-6,8-11,13,15H,3-4,7,12,14,30H2,(H,31,36)(H,32,35)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545152
(CHEMBL4637848)Show SMILES Nc1cc(F)ccc1NC(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H25F2N5O3/c29-18-6-8-24(23(31)15-18)32-26(36)17-9-11-35(12-10-17)28(38)21-13-16(5-7-22(21)30)14-25-19-3-1-2-4-20(19)27(37)34-33-25/h1-8,13,15,17H,9-12,14,31H2,(H,32,36)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545151
(CHEMBL4642383)Show SMILES Nc1ccc(F)cc1NC(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C28H25F2N5O3/c29-18-6-8-23(31)25(15-18)32-26(36)17-9-11-35(12-10-17)28(38)21-13-16(5-7-22(21)30)14-24-19-3-1-2-4-20(19)27(37)34-33-24/h1-8,13,15,17H,9-12,14,31H2,(H,32,36)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50545155
(CHEMBL4639703)Show SMILES Nc1cc(F)ccc1NC(=O)CCCCNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C27H25F2N5O3/c28-17-9-11-23(22(30)15-17)32-25(35)7-3-4-12-31-26(36)20-13-16(8-10-21(20)29)14-24-18-5-1-2-6-19(18)27(37)34-33-24/h1-2,5-6,8-11,13,15H,3-4,7,12,14,30H2,(H,31,36)(H,32,35)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127036
BindingDB Entry DOI: 10.7270/Q28G8Q9P |
More data for this
Ligand-Target Pair | |
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