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2 similar compounds to monomer 22947

Compile data set for download or QSAR
Wt: 446.5
BDBM22945
Wt: 412.5
BDBM22946

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22945,22946   
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
Adenosine deaminase


(Homo sapiens (Human))
BDBM22946
PNG
(1-[(2R)-4-[5-(hexyloxy)-1-methyl-1H-indol-3-yl]-1-...)
Show SMILES CCCCCCOc1ccc2n(C)cc(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1
Show InChI InChI=1S/C23H32N4O3/c1-3-4-5-6-11-30-19-9-10-22-20(12-19)17(13-26(22)2)7-8-18(15-28)27-14-21(23(24)29)25-16-27/h9-10,12-14,16,18,28H,3-8,11,15H2,1-2H3,(H2,24,29)/t18-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
13 -10.6n/an/an/an/an/a7.422



Fujisawa Pharmaceutical Co., Ltd.



Assay Description
The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...


J Med Chem 47: 3730-43 (2004)


Article DOI: 10.1021/jm0306374
BindingDB Entry DOI: 10.7270/Q2668BG0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM22945
PNG
(1-[(2R)-1-hydroxy-4-[1-methyl-5-(3-phenylpropoxy)-...)
Show SMILES Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccccc3)ccc12
Show InChI InChI=1S/C26H30N4O3/c1-29-15-20(9-10-21(17-31)30-16-24(26(27)32)28-18-30)23-14-22(11-12-25(23)29)33-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14-16,18,21,31H,5,8-10,13,17H2,1H3,(H2,27,32)/t21-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
26 -10.2n/an/an/an/an/a7.422



Fujisawa Pharmaceutical Co., Ltd.



Assay Description
The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...


J Med Chem 47: 3730-43 (2004)


Article DOI: 10.1021/jm0306374
BindingDB Entry DOI: 10.7270/Q2668BG0
More data for this
Ligand-Target Pair