BindingDB logo
myBDB logout

PubMed code 26037610

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Adenosylhomocysteinase


(Rattus norvegicus)		BDBM50105900
PNG
(CHEMBL11390)
Show SMILES Nc1ncnc2n(CC(O)CO)cnc12
Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Reversible inhibition of rat liver S-adenosyl-L-homocysteine hydrolase

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))		BDBM50050862
PNG
(CHEMBL3322562)
Show SMILES Cl.CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31Cl2N5O3.ClH/c1-31-13-14-32-27(36)18-34(19-28(37)33(2)35-16-20-5-3-4-6-21(20)17-35)25-15-23(30)9-12-26(25)38-24-10-7-22(29)8-11-24;/h3-12,15,31H,13-14,16-19H2,1-2H3,(H,32,36);1H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 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)


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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
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)


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))		BDBM50050877
PNG
(CHEMBL3322547)
Show SMILES CN(N1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C31H35Cl2N5O3/c1-35(38-19-23-6-2-3-7-24(23)20-38)31(40)22-37(21-30(39)34-14-17-36-15-4-5-16-36)28-18-26(33)10-13-29(28)41-27-11-8-25(32)9-12-27/h2-3,6-13,18H,4-5,14-17,19-22H2,1H3,(H,34,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/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)


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))		BDBM50050874
PNG
(CHEMBL3322550)
Show SMILES COC(=O)N1CCN(CC1)N(C)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N6O5/c1-33(37-17-15-35(16-18-37)29(40)41-2)28(39)21-36(20-27(38)32-11-14-34-12-3-4-13-34)25-19-23(31)7-10-26(25)42-24-8-5-22(30)6-9-24/h5-10,19H,3-4,11-18,20-21H2,1-2H3,(H,32,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 44n/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)


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))		BDBM50050875
PNG
(CHEMBL3322549)
Show SMILES CN(N1CCN(CC1)S(C)(=O)=O)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C28H38Cl2N6O5S/c1-32(35-15-17-36(18-16-35)42(2,39)40)28(38)21-34(20-27(37)31-11-14-33-12-3-4-13-33)25-19-23(30)7-10-26(25)41-24-8-5-22(29)6-9-24/h5-10,19H,3-4,11-18,20-21H2,1-2H3,(H,31,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 49n/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)


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))		BDBM50105907
PNG
(CHEMBL3597818)
Show SMILES CC(C)N(CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C36H44Cl2N4O5/c1-24(2)42(35(45)47-36(3,4)5)18-17-39-33(43)22-41(23-34(44)40(6)29-19-25-9-7-8-10-26(25)20-29)31-21-28(38)13-16-32(31)46-30-14-11-27(37)12-15-30/h7-16,21,24,29H,17-20,22-23H2,1-6H3,(H,39,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 49n/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)


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))		BDBM50050884
PNG
(CHEMBL3322540)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C32H36Cl2N4O3/c1-36(27-18-23-6-2-3-7-24(23)19-27)32(40)22-38(21-31(39)35-14-17-37-15-4-5-16-37)29-20-26(34)10-13-30(29)41-28-11-8-25(33)9-12-28/h2-3,6-13,20,27H,4-5,14-19,21-22H2,1H3,(H,35,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 52n/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)


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))		BDBM50105908
PNG
(CHEMBL3597817)
Show SMILES CCN(CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H42Cl2N4O5/c1-6-40(34(44)46-35(2,3)4)18-17-38-32(42)22-41(23-33(43)39(5)28-19-24-9-7-8-10-25(24)20-28)30-21-27(37)13-16-31(30)45-29-14-11-26(36)12-15-29/h7-16,21,28H,6,17-20,22-23H2,1-5H3,(H,38,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 60n/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)


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))		BDBM50105899
PNG
(CHEMBL3597816)
Show SMILES CN(CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H40Cl2N4O5/c1-34(2,3)45-33(43)38(4)17-16-37-31(41)21-40(22-32(42)39(5)27-18-23-8-6-7-9-24(23)19-27)29-20-26(36)12-15-30(29)44-28-13-10-25(35)11-14-28/h6-15,20,27H,16-19,21-22H2,1-5H3,(H,37,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 70n/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)


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))		BDBM50050883
PNG
(CHEMBL3322541)
Show SMILES CN(C1CCc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N4O3/c1-37(28-12-8-24-6-2-3-7-25(24)20-28)33(41)23-39(22-32(40)36-16-19-38-17-4-5-18-38)30-21-27(35)11-15-31(30)42-29-13-9-26(34)10-14-29/h2-3,6-7,9-11,13-15,21,28H,4-5,8,12,16-20,22-23H2,1H3,(H,36,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 81n/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)


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))		BDBM50105904
PNG
(CHEMBL3597821)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H42Cl2N4O5/c1-36(2,3)47-35(45)42-17-7-10-28(42)21-39-33(43)22-41(23-34(44)40(4)29-18-24-8-5-6-9-25(24)19-29)31-20-27(38)13-16-32(31)46-30-14-11-26(37)12-15-30/h5-6,8-9,11-16,20,28-29H,7,10,17-19,21-23H2,1-4H3,(H,39,43)/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 110n/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)


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))		BDBM50050871
PNG
(CHEMBL3322553)
Show SMILES CN(C)CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C30H34Cl2N4O3/c1-34(2)15-14-33-29(37)19-36(20-30(38)35(3)25-16-21-6-4-5-7-22(21)17-25)27-18-24(32)10-13-28(27)39-26-11-8-23(31)9-12-26/h4-13,18,25H,14-17,19-20H2,1-3H3,(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 130n/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)


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))		BDBM50105902
PNG
(CHEMBL3597823)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NCC1CCCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C37H44Cl2N4O5/c1-37(2,3)48-36(46)43-18-8-7-11-29(43)22-40-34(44)23-42(24-35(45)41(4)30-19-25-9-5-6-10-26(25)20-30)32-21-28(39)14-17-33(32)47-31-15-12-27(38)13-16-31/h5-6,9-10,12-17,21,29-30H,7-8,11,18-20,22-24H2,1-4H3,(H,40,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 150n/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)


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))		BDBM50050876
PNG
(CHEMBL3322548)
Show SMILES CN(N1CCc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C32H37Cl2N5O3/c1-36(39-18-14-24-6-2-3-7-25(24)21-39)32(41)23-38(22-31(40)35-15-19-37-16-4-5-17-37)29-20-27(34)10-13-30(29)42-28-11-8-26(33)9-12-28/h2-3,6-13,20H,4-5,14-19,21-23H2,1H3,(H,35,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/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)


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))		BDBM50050879
PNG
(CHEMBL3322545)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C29H39Cl2N5O5S/c1-33(24-11-16-36(17-12-24)42(2,39)40)29(38)21-35(20-28(37)32-13-18-34-14-3-4-15-34)26-19-23(31)7-10-27(26)41-25-8-5-22(30)6-9-25/h5-10,19,24H,3-4,11-18,20-21H2,1-2H3,(H,32,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 230n/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)


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))		BDBM50050872
PNG
(CHEMBL3322552)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N4O3/c1-37(28-19-24-7-3-4-8-25(24)20-28)33(41)23-39(22-32(40)36-15-18-38-16-5-2-6-17-38)30-21-27(35)11-14-31(30)42-29-12-9-26(34)10-13-29/h3-4,7-14,21,28H,2,5-6,15-20,22-23H2,1H3,(H,36,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 320n/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)


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))		BDBM50050873
PNG
(CHEMBL3322551)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N4O3/c1-37(28-19-24-7-2-3-8-25(24)20-28)33(41)23-39(22-32(40)36-15-6-18-38-16-4-5-17-38)30-21-27(35)11-14-31(30)42-29-12-9-26(34)10-13-29/h2-3,7-14,21,28H,4-6,15-20,22-23H2,1H3,(H,36,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 330n/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)


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))		BDBM50050891
PNG
(CHEMBL3322534)
Show SMILES CN(CCc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(19-15-24-7-3-2-4-8-24)31(39)23-37(22-30(38)34-16-20-36-17-5-6-18-36)28-21-26(33)11-14-29(28)40-27-12-9-25(32)10-13-27/h2-4,7-14,21H,5-6,15-20,22-23H2,1H3,(H,34,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 340n/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)


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))		BDBM50050892
PNG
(CHEMBL3322533)
Show SMILES CN(C1CCCCC1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O3/c1-33(24-7-3-2-4-8-24)29(37)21-35(20-28(36)32-15-18-34-16-5-6-17-34)26-19-23(31)11-14-27(26)38-25-12-9-22(30)10-13-25/h9-14,19,24H,2-8,15-18,20-21H2,1H3,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 380n/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)


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
PNG
(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/an/a 530n/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)


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))		BDBM50050893
PNG
(CHEMBL3322532)
Show SMILES CN(Cc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C30H34Cl2N4O3/c1-34(20-23-7-3-2-4-8-23)30(38)22-36(21-29(37)33-15-18-35-16-5-6-17-35)27-19-25(32)11-14-28(27)39-26-12-9-24(31)10-13-26/h2-4,7-14,19H,5-6,15-18,20-22H2,1H3,(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 530n/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)


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))		BDBM50105903
PNG
(CHEMBL3597822)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H42Cl2N4O5/c1-36(2,3)47-35(45)42-17-7-10-28(42)21-39-33(43)22-41(23-34(44)40(4)29-18-24-8-5-6-9-25(24)19-29)31-20-27(38)13-16-32(31)46-30-14-11-26(37)12-15-30/h5-6,8-9,11-16,20,28-29H,7,10,17-19,21-23H2,1-4H3,(H,39,43)/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 600n/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)


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))		BDBM50105873
PNG
(CHEMBL3597813)
Show SMILES CCN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N4O3/c1-2-39(28-19-24-7-3-4-8-25(24)20-28)33(41)23-38(22-32(40)36-15-18-37-16-5-6-17-37)30-21-27(35)11-14-31(30)42-29-12-9-26(34)10-13-29/h3-4,7-14,21,28H,2,5-6,15-20,22-23H2,1H3,(H,36,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 640n/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)


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))		BDBM50050878
PNG
(CHEMBL3322546)
Show SMILES COC(=O)N1CCC(CC1)N(C)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C30H39Cl2N5O5/c1-34(24-11-16-36(17-12-24)30(40)41-2)29(39)21-37(20-28(38)33-13-18-35-14-3-4-15-35)26-19-23(32)7-10-27(26)42-25-8-5-22(31)6-9-25/h5-10,19,24H,3-4,11-18,20-21H2,1-2H3,(H,33,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 890n/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)


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))		BDBM50050890
PNG
(CHEMBL3322535)
Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2CCC(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C33H38Cl2N4O3/c34-27-8-11-29(12-9-27)42-31-13-10-28(35)22-30(31)39(23-32(40)36-16-21-37-17-4-5-18-37)24-33(41)38-19-14-26(15-20-38)25-6-2-1-3-7-25/h1-3,6-13,22,26H,4-5,14-21,23-24H2,(H,36,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 970n/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)


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))		BDBM50105906
PNG
(CHEMBL3597819)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC1CCCN(C1)C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C36H42Cl2N4O5/c1-36(2,3)47-35(45)41-17-7-10-28(21-41)39-33(43)22-42(23-34(44)40(4)29-18-24-8-5-6-9-25(24)19-29)31-20-27(38)13-16-32(31)46-30-14-11-26(37)12-15-30/h5-6,8-9,11-16,20,28-29H,7,10,17-19,21-23H2,1-4H3,(H,39,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+3n/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)


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))		BDBM50105905
PNG
(CHEMBL3597820)
Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC1CCN(C1)C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C35H40Cl2N4O5/c1-35(2,3)46-34(44)40-16-15-27(20-40)38-32(42)21-41(22-33(43)39(4)28-17-23-7-5-6-8-24(23)18-28)30-19-26(37)11-14-31(30)45-29-12-9-25(36)10-13-29/h5-14,19,27-28H,15-18,20-22H2,1-4H3,(H,38,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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


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))		BDBM50105872
PNG
(CHEMBL3597812)
Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2CCCc3ccccc23)cc1
Show InChI InChI=1S/C31H34Cl2N4O3/c32-24-9-12-26(13-10-24)40-29-14-11-25(33)20-28(29)36(21-30(38)34-15-19-35-16-3-4-17-35)22-31(39)37-18-5-7-23-6-1-2-8-27(23)37/h1-2,6,8-14,20H,3-5,7,15-19,21-22H2,(H,34,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30E+3n/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)


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))		BDBM50050885
PNG
(CHEMBL3322539)
Show SMILES CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N4O3/c1-33(24-7-3-2-4-8-24)29(37)21-35(20-28(36)32-15-18-34-16-5-6-17-34)26-19-23(31)11-14-27(26)38-25-12-9-22(30)10-13-25/h2-4,7-14,19H,5-6,15-18,20-21H2,1H3,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.70E+3n/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)


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))		BDBM50050880
PNG
(CHEMBL3322544)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C30H39Cl2N5O4/c1-22(38)36-16-11-25(12-17-36)34(2)30(40)21-37(20-29(39)33-13-18-35-14-3-4-15-35)27-19-24(32)7-10-28(27)41-26-8-5-23(31)6-9-26/h5-10,19,25H,3-4,11-18,20-21H2,1-2H3,(H,33,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.60E+3n/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)


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))		BDBM50050889
PNG
(CHEMBL3321765)
Show SMILES Fc1ccccc1CNC(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31Cl2FN4O3/c30-22-7-10-24(11-8-22)39-27-12-9-23(31)17-26(27)36(19-28(37)33-13-16-35-14-3-4-15-35)20-29(38)34-18-21-5-1-2-6-25(21)32/h1-2,5-12,17H,3-4,13-16,18-20H2,(H,33,37)(H,34,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.78E+3n/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)


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))		BDBM50050888
PNG
(CHEMBL3322536)
Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)NC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C31H34Cl2N4O3/c32-24-7-10-27(11-8-24)40-29-12-9-25(33)19-28(29)37(20-30(38)34-13-16-36-14-3-4-15-36)21-31(39)35-26-17-22-5-1-2-6-23(22)18-26/h1-2,5-12,19,26H,3-4,13-18,20-21H2,(H,34,38)(H,35,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.14E+4n/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)


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))		BDBM50050886
PNG
(CHEMBL3322538)
Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C31H34Cl2N4O3/c32-25-7-10-27(11-8-25)40-29-12-9-26(33)19-28(29)37(21-30(38)34-14-18-35-15-3-4-16-35)22-31(39)36-17-13-23-5-1-2-6-24(23)20-36/h1-2,5-12,19H,3-4,13-18,20-22H2,(H,34,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70E+4n/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)


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))		BDBM50050887
PNG
(CHEMBL3322537)
Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C30H32Cl2N4O3/c31-24-7-10-26(11-8-24)39-28-12-9-25(32)17-27(28)35(20-29(37)33-13-16-34-14-3-4-15-34)21-30(38)36-18-22-5-1-2-6-23(22)19-36/h1-2,5-12,17H,3-4,13-16,18-21H2,(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+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)


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))		BDBM50105874
PNG
(CHEMBL3597814)
Show SMILES CC(C1CCNCC1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O3/c1-21(22-10-12-32-13-11-22)27(36)19-35(20-29(37)33-14-17-34-15-2-3-16-34)26-18-24(31)6-9-28(26)38-25-7-4-23(30)5-8-25/h4-9,18,21-22,32H,2-3,10-17,19-20H2,1H3,(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>1.00E+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)


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))		BDBM50105875
PNG
(CHEMBL3597815)
Show SMILES CN(CCN1CCCC1)C(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N4O3/c1-36(17-18-38-15-5-6-16-38)32(40)22-39(23-33(41)37(2)28-19-24-7-3-4-8-25(24)20-28)30-21-27(35)11-14-31(30)42-29-12-9-26(34)10-13-29/h3-4,7-14,21,28H,5-6,15-20,22-23H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+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)


Article DOI: 10.1016/j.bmc.2015.05.018
BindingDB Entry DOI: 10.7270/Q29888ST
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%