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PubMed code 1995884

Compile data set for download or QSAR
Found 4 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
Trifunctional purine biosynthetic protein adenosine-3


(Homo sapiens (Human))		BDBM50011325
PNG
(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Show SMILES Nc1nc2NCC3CCN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N6O6/c23-22-26-18-17(20(32)27-22)14-10-28(8-7-12(14)9-24-18)13-3-1-11(2-4-13)19(31)25-15(21(33)34)5-6-16(29)30/h1-4,12,14-15H,5-10H2,(H,25,31)(H,29,30)(H,33,34)(H4,23,24,26,27,32)
PDB

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UniChem

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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit thymidylate synthase from Lactobacillus casei cells.

J Med Chem 34: 611-6 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2G32
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Homo sapiens (Human))		BDBM50011325
PNG
(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Show SMILES Nc1nc2NCC3CCN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N6O6/c23-22-26-18-17(20(32)27-22)14-10-28(8-7-12(14)9-24-18)13-3-1-11(2-4-13)19(31)25-15(21(33)34)5-6-16(29)30/h1-4,12,14-15H,5-10H2,(H,25,31)(H,29,30)(H,33,34)(H4,23,24,26,27,32)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Glycinamide ribonucleotide formyltransferase from Lactobacillus casei cells.

J Med Chem 34: 611-6 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2G32
More data for this
Ligand-Target Pair
Thymidylate synthase


(Lactobacillus casei)		BDBM50011325
PNG
(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Show SMILES Nc1nc2NCC3CCN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N6O6/c23-22-26-18-17(20(32)27-22)14-10-28(8-7-12(14)9-24-18)13-3-1-11(2-4-13)19(31)25-15(21(33)34)5-6-16(29)30/h1-4,12,14-15H,5-10H2,(H,25,31)(H,29,30)(H,33,34)(H4,23,24,26,27,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit thymidylate synthase from Lactobacillus casei cells.

J Med Chem 34: 611-6 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2G32
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))		BDBM50011325
PNG
(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Show SMILES Nc1nc2NCC3CCN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N6O6/c23-22-26-18-17(20(32)27-22)14-10-28(8-7-12(14)9-24-18)13-3-1-11(2-4-13)19(31)25-15(21(33)34)5-6-16(29)30/h1-4,12,14-15H,5-10H2,(H,25,31)(H,29,30)(H,33,34)(H4,23,24,26,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Glycinamide ribonucleotide formyltransferase from Manca cells.

J Med Chem 34: 611-6 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2G32
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%