BindingDB logo
myBDB logout

There are 5 purchasable compounds for target: AICAR transformylase

Wt: 454.4
BDBM18050
Wt: 443.4
BDBM22590
Wt: 338.2
BDBM22579
Wt: 342.3
BDBM50158379
Wt: 673.7
BDBM50292288

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18050,22590,22579,50158379,50292288   
Target
(Institution)
LigandTarget
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
AICAR Tfase


(Homo sapiens (Human))
BDBM22590
PNG
((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...)
Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+5>-5.47n/an/an/an/an/a7.426



The Scripps Research Institute



Assay Description
Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase of Lactobacillus casei


J Med Chem 31: 150-3 (1988)

More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50292288
PNG
(CHEMBL451227 | NSC-7524 | Veratridine)
Show SMILES COc1ccc(cc1OC)C(=O)O[C@@H]1CCC2(C)C3CCC4[C@]5(O)C[C@H](O)[C@@]6(O)C(CN7C[C@@H](C)CCC7[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O
Show InChI InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24?,25?,26?,27-,28+,30?,31+,32+,33+,34+,35-,36-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.31E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM22579
PNG
(AICAR | Aminoimidazole-4-carboxamide ribonucleotid...)
Show SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N
Show InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against AICAR formyltransferase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
AICAR transformylase


(Homo sapiens (Human))
BDBM50158379
PNG
(CHEMBL225266 | N-[4-(quinoxalin-2-ylsulfamoyl)-phe...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
Show InChI InChI=1S/C16H14N4O3S/c1-11(21)18-12-6-8-13(9-7-12)24(22,23)20-16-10-17-14-4-2-3-5-15(14)19-16/h2-10H,1H3,(H,18,21)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 5.47E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


Citation and Details
More data for this
Ligand-Target Pair