Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50000279 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244935
(CHEMBL4094507)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C27H35N7O4/c1-33(2)26(37)22-16-19-17-29-27(31-24(19)34(22)21-8-5-6-9-21)30-20-13-11-18(12-14-20)25(36)28-15-7-3-4-10-23(35)32-38/h11-14,16-17,21,38H,3-10,15H2,1-2H3,(H,28,36)(H,32,35)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244933
(CHEMBL4069404)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C27H35N7O4/c1-33(2)26(37)22-16-18-17-28-27(31-25(18)34(22)21-8-6-7-9-21)30-20-14-12-19(13-15-20)29-23(35)10-4-3-5-11-24(36)32-38/h12-17,21,38H,3-11H2,1-2H3,(H,29,35)(H,32,36)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart. |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244900
(CHEMBL4068308)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-20-18-30-28(32-25(20)35(23)22-9-6-7-10-22)31-21-14-12-19(13-15-21)26(37)29-16-8-4-3-5-11-24(36)33-39/h12-15,17-18,22,39H,3-11,16H2,1-2H3,(H,29,37)(H,33,36)(H,30,31,32) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244881
(CHEMBL4102249)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-18-21-19-31-29(33-26(21)36(24)23-10-7-8-11-23)32-22-15-13-20(14-16-22)27(38)30-17-9-5-3-4-6-12-25(37)34-40/h13-16,18-19,23,40H,3-12,17H2,1-2H3,(H,30,38)(H,34,37)(H,31,32,33) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244849
(CHEMBL4083345)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)NCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C27H36N8O4/c1-34(2)25(37)22-16-18-17-29-26(32-24(18)35(22)21-8-5-6-9-21)30-19-11-13-20(14-12-19)31-27(38)28-15-7-3-4-10-23(36)33-39/h11-14,16-17,21,39H,3-10,15H2,1-2H3,(H,33,36)(H2,28,31,38)(H,29,30,32) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244826
(CHEMBL4074698)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3ncn(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H31N7O3/c32-21(9-3-1-2-4-10-22(33)30-34)27-17-11-13-18(14-12-17)28-24-25-15-20-23(29-24)31(16-26-20)19-7-5-6-8-19/h11-16,19,34H,1-10H2,(H,27,32)(H,30,33)(H,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244956
(CHEMBL4091353)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-18-20-19-30-29(33-27(20)36(24)23-10-8-9-11-23)32-22-16-14-21(15-17-22)31-25(37)12-6-4-3-5-7-13-26(38)34-40/h14-19,23,40H,3-13H2,1-2H3,(H,31,37)(H,34,38)(H,30,32,33) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244883
(CHEMBL4067088)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3cccc(NC(=O)CCCCCCC(=O)NO)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-16-19-18-29-28(32-26(19)35(23)22-12-7-8-13-22)31-21-11-9-10-20(17-21)30-24(36)14-5-3-4-6-15-25(37)33-39/h9-11,16-18,22,39H,3-8,12-15H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244937
(CHEMBL4104221)Show SMILES COC(=O)CCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H34N6O4/c1-32(2)26(36)22-16-18-17-28-27(31-25(18)33(22)21-8-4-5-9-21)30-20-14-12-19(13-15-20)29-23(34)10-6-7-11-24(35)37-3/h12-17,21H,4-11H2,1-3H3,(H,29,34)(H,28,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244932
(CHEMBL4072117)Show SMILES COC(=O)CCCCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H34N6O4/c1-32(2)26(36)22-16-19-17-29-27(31-24(19)33(22)21-8-4-5-9-21)30-20-13-11-18(12-14-20)25(35)28-15-7-6-10-23(34)37-3/h11-14,16-17,21H,4-10,15H2,1-3H3,(H,28,35)(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244876
(CHEMBL4075513)Show SMILES COC(=O)CCCCCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C28H36N6O4/c1-33(2)27(37)23-17-20-18-30-28(32-25(20)34(23)22-9-6-7-10-22)31-21-14-12-19(13-15-21)26(36)29-16-8-4-5-11-24(35)38-3/h12-15,17-18,22H,4-11,16H2,1-3H3,(H,29,36)(H,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244956
(CHEMBL4091353)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-18-20-19-30-29(33-27(20)36(24)23-10-8-9-11-23)32-22-16-14-21(15-17-22)31-25(37)12-6-4-3-5-7-13-26(38)34-40/h14-19,23,40H,3-13H2,1-2H3,(H,31,37)(H,34,38)(H,30,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244930
(CHEMBL4095712)Show SMILES COC(=O)CCCCCCCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C30H40N6O4/c1-35(2)29(39)25-19-22-20-32-30(34-27(22)36(25)24-11-8-9-12-24)33-23-16-14-21(15-17-23)28(38)31-18-10-6-4-5-7-13-26(37)40-3/h14-17,19-20,24H,4-13,18H2,1-3H3,(H,31,38)(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244849
(CHEMBL4083345)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)NCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C27H36N8O4/c1-34(2)25(37)22-16-18-17-29-26(32-24(18)35(22)21-8-5-6-9-21)30-19-11-13-20(14-12-19)31-27(38)28-15-7-3-4-10-23(36)33-39/h11-14,16-17,21,39H,3-10,15H2,1-2H3,(H,33,36)(H2,28,31,38)(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart. |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex. |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244935
(CHEMBL4094507)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C27H35N7O4/c1-33(2)26(37)22-16-19-17-29-27(31-24(19)34(22)21-8-5-6-9-21)30-20-13-11-18(12-14-20)25(36)28-15-7-3-4-10-23(35)32-38/h11-14,16-17,21,38H,3-10,15H2,1-2H3,(H,28,36)(H,32,35)(H,29,30,31) | PDB
MMDB
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UniChem
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| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244824
(CHEMBL4087464)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCCO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H38N6O3/c1-33(2)27(37)24-18-20-19-29-28(32-26(20)34(24)23-10-7-8-11-23)31-22-15-13-21(14-16-22)30-25(36)12-6-4-3-5-9-17-35/h13-16,18-19,23,35H,3-12,17H2,1-2H3,(H,30,36)(H,29,31,32) | PDB
MMDB
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244933
(CHEMBL4069404)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C27H35N7O4/c1-33(2)26(37)22-16-18-17-28-27(31-25(18)34(22)21-8-6-7-9-21)30-20-14-12-19(13-15-20)29-23(35)10-4-3-5-11-24(36)32-38/h12-17,21,38H,3-11H2,1-2H3,(H,29,35)(H,32,36)(H,28,30,31) | PDB
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244955
(CHEMBL4091971)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(CNC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-17-21-19-31-29(33-27(21)36(24)23-9-7-8-10-23)32-22-15-13-20(14-16-22)18-30-25(37)11-5-3-4-6-12-26(38)34-40/h13-17,19,23,40H,3-12,18H2,1-2H3,(H,30,37)(H,34,38)(H,31,32,33) | PDB
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244958
(CHEMBL4079980)Show SMILES COC(=O)CCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C28H36N6O4/c1-33(2)27(37)23-17-19-18-29-28(32-26(19)34(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(35)11-5-4-6-12-25(36)38-3/h13-18,22H,4-12H2,1-3H3,(H,30,35)(H,29,31,32) | PDB
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244899
(CHEMBL4092039)Show SMILES CCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C26H34N6O2/c1-4-5-6-11-23(33)28-19-12-14-20(15-13-19)29-26-27-17-18-16-22(25(34)31(2)3)32(24(18)30-26)21-9-7-8-10-21/h12-17,21H,4-11H2,1-3H3,(H,28,33)(H,27,29,30) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244880
(CHEMBL4068361)Show SMILES COC(=O)CCCCCCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C29H38N6O4/c1-34(2)28(38)24-18-21-19-31-29(33-26(21)35(24)23-10-7-8-11-23)32-22-15-13-20(14-16-22)27(37)30-17-9-5-4-6-12-25(36)39-3/h13-16,18-19,23H,4-12,17H2,1-3H3,(H,30,37)(H,31,32,33) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244875
(CHEMBL4073953)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C26H33N7O4/c1-32(2)25(36)21-15-18-16-28-26(30-23(18)33(21)20-7-3-4-8-20)29-19-12-10-17(11-13-19)24(35)27-14-6-5-9-22(34)31-37/h10-13,15-16,20,37H,3-9,14H2,1-2H3,(H,27,35)(H,31,34)(H,28,29,30) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244894
(CHEMBL4090436)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C26H33N7O4/c1-32(2)25(36)21-15-17-16-27-26(30-24(17)33(21)20-7-3-4-8-20)29-19-13-11-18(12-14-19)28-22(34)9-5-6-10-23(35)31-37/h11-16,20,37H,3-10H2,1-2H3,(H,28,34)(H,31,35)(H,27,29,30) | PDB
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length C-terminal 6His-tagged Aurora-A expressed in baculovirus infected sf21 cells using kemptide substrate in ... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244900
(CHEMBL4068308)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-20-18-30-28(32-25(20)35(23)22-9-6-7-10-22)31-21-14-12-19(13-15-21)26(37)29-16-8-4-3-5-11-24(36)33-39/h12-15,17-18,22,39H,3-11,16H2,1-2H3,(H,29,37)(H,33,36)(H,30,31,32) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244821
(CHEMBL4071369)Show SMILES COC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C29H38N6O4/c1-34(2)28(38)24-18-20-19-30-29(33-27(20)35(24)23-10-8-9-11-23)32-22-16-14-21(15-17-22)31-25(36)12-6-4-5-7-13-26(37)39-3/h14-19,23H,4-13H2,1-3H3,(H,31,36)(H,30,32,33) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat cortex. |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM148264
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244841
(CHEMBL4066630)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C31H43N9O4/c1-37(2)30(43)25-19-22-20-33-31(35-29(22)40(25)23-9-7-8-10-23)34-26-14-13-24(21-32-26)38-15-17-39(18-16-38)28(42)12-6-4-3-5-11-27(41)36-44/h13-14,19-21,23,44H,3-12,15-18H2,1-2H3,(H,36,41)(H,32,33,34,35) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244847
(CHEMBL4072827)Show SMILES COC(=O)CCCCCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 Show InChI InChI=1S/C32H44N8O4/c1-37(2)31(43)26-20-23-21-34-32(36-30(23)40(26)24-10-8-9-11-24)35-27-15-14-25(22-33-27)38-16-18-39(19-17-38)28(41)12-6-4-5-7-13-29(42)44-3/h14-15,20-22,24H,4-13,16-19H2,1-3H3,(H,33,34,35,36) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244822
(CHEMBL4065039)Show SMILES CN(C)C(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C30H41N7O3/c1-35(2)27(39)14-8-6-5-7-13-26(38)32-22-15-17-23(18-16-22)33-30-31-20-21-19-25(29(40)36(3)4)37(28(21)34-30)24-11-9-10-12-24/h15-20,24H,5-14H2,1-4H3,(H,32,38)(H,31,33,34) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244827
(CHEMBL4094446)Show SMILES COC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cn1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)22-16-19-17-30-28(33-26(19)35(22)21-10-8-9-11-21)31-20-14-15-23(29-18-20)32-24(36)12-6-4-5-7-13-25(37)39-3/h14-18,21H,4-13H2,1-3H3,(H,29,32,36)(H,30,31,33) | PDB
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244823
(CHEMBL4092722)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(O)=O)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H36N6O4/c1-33(2)27(38)23-17-19-18-29-28(32-26(19)34(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(35)11-5-3-4-6-12-25(36)37/h13-18,22H,3-12H2,1-2H3,(H,30,35)(H,36,37)(H,29,31,32) | PDB
MMDB
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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Aurora kinase B/Inner centromere protein
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Aurora kinase C/Inner centromere protein
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged Aurora-C (35-end residues)/N-terminal GST-tagged INCENP (821-end residues) expressed in baculo... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244931
(CHEMBL4075445)Show SMILES COC(=O)CCCCCNC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)26(37)23-17-19-18-30-27(33-25(19)35(23)22-9-6-7-10-22)31-20-12-14-21(15-13-20)32-28(38)29-16-8-4-5-11-24(36)39-3/h12-15,17-18,22H,4-11,16H2,1-3H3,(H2,29,32,38)(H,30,31,33) | PDB
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PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244957
(CHEMBL4092163)Show SMILES COC(=O)CCCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C30H40N6O4/c1-35(2)29(39)25-19-21-20-31-30(34-28(21)36(25)24-11-9-10-12-24)33-23-17-15-22(16-18-23)32-26(37)13-7-5-4-6-8-14-27(38)40-3/h15-20,24H,4-14H2,1-3H3,(H,32,37)(H,31,33,34) | PDB
MMDB
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PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244840
(CHEMBL4064231)Show SMILES COC(=O)CCCCCCC(=O)NCc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C30H40N6O4/c1-35(2)29(39)25-18-22-20-32-30(34-28(22)36(25)24-10-8-9-11-24)33-23-16-14-21(15-17-23)19-31-26(37)12-6-4-5-7-13-27(38)40-3/h14-18,20,24H,4-13,19H2,1-3H3,(H,31,37)(H,32,33,34) | PDB
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PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244877
(CHEMBL4087863)Show SMILES COC(=O)CCCCCCC(=O)Nc1cccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)c1 Show InChI InChI=1S/C29H38N6O4/c1-34(2)28(38)24-17-20-19-30-29(33-27(20)35(24)23-13-8-9-14-23)32-22-12-10-11-21(18-22)31-25(36)15-6-4-5-7-16-26(37)39-3/h10-12,17-19,23H,4-9,13-16H2,1-3H3,(H,31,36)(H,30,32,33) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244881
(CHEMBL4102249)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-18-21-19-31-29(33-26(21)36(24)23-10-7-8-11-23)32-22-15-13-20(14-16-22)27(38)30-17-9-5-3-4-6-12-25(37)34-40/h13-16,18-19,23,40H,3-12,17H2,1-2H3,(H,30,38)(H,34,37)(H,31,32,33) | PDB
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PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244894
(CHEMBL4090436)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C26H33N7O4/c1-32(2)25(36)21-15-17-16-27-26(30-24(17)33(21)20-7-3-4-8-20)29-19-13-11-18(12-14-19)28-22(34)9-5-6-10-23(35)31-37/h11-16,20,37H,3-10H2,1-2H3,(H,28,34)(H,31,35)(H,27,29,30) | PDB
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PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244949
(CHEMBL4064314)Show SMILES CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H36N6O2/c1-4-5-6-7-12-24(34)29-20-13-15-21(16-14-20)30-27-28-18-19-17-23(26(35)32(2)3)33(25(19)31-27)22-10-8-9-11-22/h13-18,22H,4-12H2,1-3H3,(H,29,34)(H,28,30,31) | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
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CHEMBL
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MCE
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PC cid
PC sid
PDB
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Patents
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244902
(CHEMBL4099786)Show SMILES CCCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C28H38N6O2/c1-4-5-6-7-8-13-25(35)30-21-14-16-22(17-15-21)31-28-29-19-20-18-24(27(36)33(2)3)34(26(20)32-28)23-11-9-10-12-23/h14-19,23H,4-13H2,1-3H3,(H,30,35)(H,29,31,32) | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50244883
(CHEMBL4067088)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3cccc(NC(=O)CCCCCCC(=O)NO)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-16-19-18-29-28(32-26(19)35(23)22-12-7-8-13-22)31-21-11-9-10-20(17-21)30-24(36)14-5-3-4-6-15-25(37)33-39/h9-11,16-18,22,39H,3-8,12-15H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
MMDB
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i... |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50244953
(CHEMBL4063500)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(36)11-5-3-4-6-12-25(37)33-39/h13-18,22,39H,3-12H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244901
(CHEMBL4082598)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccccc3NC(=O)CCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)23-17-19-18-29-28(32-26(19)35(23)20-11-7-8-12-20)31-22-14-10-9-13-21(22)30-24(36)15-5-3-4-6-16-25(37)33-39/h9-10,13-14,17-18,20,39H,3-8,11-12,15-16H2,1-2H3,(H,30,36)(H,33,37)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50244841
(CHEMBL4066630)Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C31H43N9O4/c1-37(2)30(43)25-19-22-20-33-31(35-29(22)40(25)23-9-7-8-10-23)34-26-14-13-24(21-32-26)38-15-17-39(18-16-38)28(42)12-6-4-3-5-11-27(41)36-44/h13-14,19-21,23,44H,3-12,15-18H2,1-2H3,(H,36,41)(H,32,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15 |
J Med Chem 61: 3166-3192 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK |
More data for this
Ligand-Target Pair | |
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