Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosylhomocysteinase' and Ligand = 'BDBM50050882' 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 |
|---|
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050882
(CHEMBL3322542)Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |r,wU:2.1,wD:5.8,(23.46,-26.56,;23.46,-25.02,;24.79,-24.24,;24.77,-22.71,;26.11,-21.93,;27.44,-22.7,;27.44,-24.24,;26.12,-25.01,;28.77,-21.94,;30.1,-22.71,;31.43,-21.94,;31.43,-20.4,;30.09,-19.63,;28.76,-20.4,;22.13,-24.26,;20.8,-25.03,;22.12,-22.72,;20.79,-21.95,;20.78,-20.41,;22.11,-19.64,;23.45,-20.4,;22.1,-18.1,;23.44,-17.32,;24.77,-18.09,;26.1,-17.31,;27.5,-17.93,;28.53,-16.78,;27.76,-15.45,;26.25,-15.78,;19.45,-22.73,;19.46,-24.28,;18.12,-25.05,;18.12,-26.59,;16.79,-24.28,;16.79,-22.74,;18.12,-21.96,;18.11,-20.42,;16.78,-19.66,;16.78,-18.12,;15.45,-17.35,;14.11,-18.13,;12.78,-17.36,;14.12,-19.68,;15.46,-20.44,)| Show InChI InChI=1S/C35H42Cl2N4O3/c1-39(30-14-9-27(10-15-30)26-7-3-2-4-8-26)35(43)25-41(24-34(42)38-19-22-40-20-5-6-21-40)32-23-29(37)13-18-33(32)44-31-16-11-28(36)12-17-31/h2-4,7-8,11-13,16-18,23,27,30H,5-6,9-10,14-15,19-22,24-25H2,1H3,(H,38,42)/t27-,30- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis |
Bioorg Med Chem 23: 4952-69 (2015)
Article DOI: 10.1016/j.bmc.2015.05.018
BindingDB Entry DOI: 10.7270/Q29888ST |
More data for this
Ligand-Target Pair | |
Adenosylhomocysteinase
(Homo sapiens (Human)) | BDBM50050882
(CHEMBL3322542)Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |r,wU:2.1,wD:5.8,(23.46,-26.56,;23.46,-25.02,;24.79,-24.24,;24.77,-22.71,;26.11,-21.93,;27.44,-22.7,;27.44,-24.24,;26.12,-25.01,;28.77,-21.94,;30.1,-22.71,;31.43,-21.94,;31.43,-20.4,;30.09,-19.63,;28.76,-20.4,;22.13,-24.26,;20.8,-25.03,;22.12,-22.72,;20.79,-21.95,;20.78,-20.41,;22.11,-19.64,;23.45,-20.4,;22.1,-18.1,;23.44,-17.32,;24.77,-18.09,;26.1,-17.31,;27.5,-17.93,;28.53,-16.78,;27.76,-15.45,;26.25,-15.78,;19.45,-22.73,;19.46,-24.28,;18.12,-25.05,;18.12,-26.59,;16.79,-24.28,;16.79,-22.74,;18.12,-21.96,;18.11,-20.42,;16.78,-19.66,;16.78,-18.12,;15.45,-17.35,;14.11,-18.13,;12.78,-17.36,;14.12,-19.68,;15.46,-20.44,)| Show InChI InChI=1S/C35H42Cl2N4O3/c1-39(30-14-9-27(10-15-30)26-7-3-2-4-8-26)35(43)25-41(24-34(42)38-19-22-40-20-5-6-21-40)32-23-29(37)13-18-33(32)44-31-16-11-28(36)12-17-31/h2-4,7-8,11-13,16-18,23,27,30H,5-6,9-10,14-15,19-22,24-25H2,1H3,(H,38,42)/t27-,30- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by HPLC analysis |
Bioorg Med Chem Lett 24: 4336-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.008
BindingDB Entry DOI: 10.7270/Q2377BCP |
More data for this
Ligand-Target Pair | |
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