BindingDB logo
myBDB logout

8 similar compounds to monomer 50280301

Compile data set for download or QSAR
Wt: 267.2
BDBM50406477
Wt: 283.6
BDBM50368167
Wt: 301.6
BDBM50368169
Wt: 301.6
BDBM50368170
Wt: 267.2
BDBM50046747
Wt: 267.2
BDBM50046748
Wt: 267.2
BDBM50280299
Purchase
Wt: 251.2
BDBM50011352

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50406477,50368167,50368169,50368170,50046747,50046748,50280299,50011352   
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


(Rattus norvegicus)
BDBM50280299
PNG
((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against recombinant rat liver S-adenosylhomocysteine hydrolase


Bioorg Med Chem Lett 2: 1741-1744 (1992)


Article DOI: 10.1016/S0960-894X(00)80467-9
BindingDB Entry DOI: 10.7270/Q21Z44B7
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50046747
PNG
(2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydr...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase


J Med Chem 36: 883-7 (1993)


Article DOI: 10.1021/jm00059a013
BindingDB Entry DOI: 10.7270/Q2HM593F
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50046748
PNG
(2-(6-Amino-purin-9-yl)-5-fluoromethylene-tetrahydr...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1+/t6-,7-,10+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase


J Med Chem 36: 883-7 (1993)


Article DOI: 10.1021/jm00059a013
BindingDB Entry DOI: 10.7270/Q2HM593F
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50280299
PNG
((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
550n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50368169
PNG
(CHEMBL2368687)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C([C@@H](O)[C@H]1O)=C(\F)Cl
Show InChI InChI=1S/C10H9ClFN5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-5,10,18-19H,(H2,13,14,15)/b7-6+/t4-,5+,10+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50368167
PNG
(CHEMBL3349334 | CHEMBL611905)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/Cl)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H10ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50368170
PNG
(CHEMBL2368677)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C([C@@H](O)[C@H]1O)=C(/F)Cl
Show InChI InChI=1S/C10H9ClFN5O3/c11-7(12)6-4(18)5(19)10(20-6)17-2-16-3-8(13)14-1-15-9(3)17/h1-2,4-5,10,18-19H,(H2,13,14,15)/b7-6-/t4-,5+,10+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50406477
PNG
(CHEMBL2051968 | CHEMBL2069133)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C\F)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/t6-,7+,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50280299
PNG
((2R,3R,4S)-2-(6-Amino-purin-9-yl)-5-[1-fluoro-meth...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O\C(=C/F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50011352
PNG
(5-(6-Amino-purin-9-yl)-2-fluoromethylene-tetrahydr...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)\C(O1)=C\F
Show InChI InChI=1S/C10H10FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h2-5,7,17H,1H2,(H2,12,13,14)/b6-2-/t5-,7?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+5n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable


J Med Chem 34: 647-56 (1991)


Article DOI: 10.1021/jm00106a028
BindingDB Entry DOI: 10.7270/Q25M6695
More data for this
Ligand-Target Pair