Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50030234 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 |
|---|
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50228363
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine transporter |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954
BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50228363
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of adrenergic alpha2A receptor |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954
BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50228363
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M2 receptor |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954
BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50228363
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954
BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50228363
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp method |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954
BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to SIRT1 |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954
BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this
Ligand-Target Pair | |
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