BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50021807   
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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50228085
PNG
(CHEMBL238461 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NO
Show InChI InChI=1S/C17H21NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h4,20,22H,5-8H2,1-3H3,(H,18,19)/b9-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50228085
PNG
(CHEMBL238461 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NO
Show InChI InChI=1S/C17H21NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h4,20,22H,5-8H2,1-3H3,(H,18,19)/b9-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM19253
PNG
(CHEMBL394276 | NSC 358285 | Tiazofurin Adenine Din...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM19253
PNG
(CHEMBL394276 | NSC 358285 | Tiazofurin Adenine Din...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50228088
PNG
(CHEMBL392178 | N-hydroxy-7-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCC(=O)NO
Show InChI InChI=1S/C18H23NO6/c1-10(5-4-6-14(20)19-23)7-8-12-16(21)15-13(9-25-18(15)22)11(2)17(12)24-3/h7,21,23H,4-6,8-9H2,1-3H3,(H,19,20)/b10-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50228083
PNG
(CHEMBL238905 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCC(C)CCC(=O)NO |w:16.18|
Show InChI InChI=1S/C17H23NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h9,20,22H,4-8H2,1-3H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
540n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50228082
PNG
(CHEMBL239105 | N-(2-aminophenyl)-6-(4-hydroxy-6-me...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C23H26N2O5/c1-13(9-11-19(26)25-18-7-5-4-6-17(18)24)8-10-15-21(27)20-16(12-30-23(20)28)14(2)22(15)29-3/h4-8,27H,9-12,24H2,1-3H3,(H,25,26)/b13-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
650n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50228088
PNG
(CHEMBL392178 | N-hydroxy-7-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCC(=O)NO
Show InChI InChI=1S/C18H23NO6/c1-10(5-4-6-14(20)19-23)7-8-12-16(21)15-13(9-25-18(15)22)11(2)17(12)24-3/h7,21,23H,4-6,8-9H2,1-3H3,(H,19,20)/b10-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50228086
PNG
(CHEMBL429090 | N1-hydroxy-N8-(3-methoxy-4-(oxazol-...)
Show SMILES COc1cc(NC(=O)CCCCCCC(=O)NO)ccc1-c1cnco1
Show InChI InChI=1S/C18H23N3O5/c1-25-15-10-13(8-9-14(15)16-11-19-12-26-16)20-17(22)6-4-2-3-5-7-18(23)21-24/h8-12,24H,2-7H2,1H3,(H,20,22)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50228083
PNG
(CHEMBL238905 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCC(C)CCC(=O)NO |w:16.18|
Show InChI InChI=1S/C17H23NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h9,20,22H,4-8H2,1-3H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.07E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50228082
PNG
(CHEMBL239105 | N-(2-aminophenyl)-6-(4-hydroxy-6-me...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C23H26N2O5/c1-13(9-11-19(26)25-18-7-5-4-6-17(18)24)8-10-15-21(27)20-16(12-30-23(20)28)14(2)22(15)29-3/h4-8,27H,9-12,24H2,1-3H3,(H,25,26)/b13-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.83E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50228086
PNG
(CHEMBL429090 | N1-hydroxy-N8-(3-methoxy-4-(oxazol-...)
Show SMILES COc1cc(NC(=O)CCCCCCC(=O)NO)ccc1-c1cnco1
Show InChI InChI=1S/C18H23N3O5/c1-25-15-10-13(8-9-14(15)16-11-19-12-26-16)20-17(22)6-4-2-3-5-7-18(23)21-24/h8-12,24H,2-7H2,1H3,(H,20,22)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair