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SMILES: Cl.CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=LEEQRWUADCNPQP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105901   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosylhomocysteinase


(Homo sapiens (Human))		BDBM50105901
PNG
(CHEMBL3597832)
Show SMILES Cl.CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C29H33Cl2N5O3.ClH/c1-3-32-14-15-33-28(37)19-35(20-29(38)34(2)36-17-21-6-4-5-7-22(21)18-36)26-16-24(31)10-13-27(26)39-25-11-8-23(30)9-12-25;/h4-13,16,32H,3,14-15,17-20H2,1-2H3,(H,33,37);1H
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MMDB

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Similars
PubMed
n/an/a 8.5n/an/an/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q29888ST
More data for this
Ligand-Target Pair