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5 similar compounds to monomer 50181866

Wt: 307.7
BDBM50181865
Wt: 603.6
BDBM50190628
Wt: 318.3
BDBM50181864
Wt: 472.6
BDBM50190669

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50181865,50190628,50181864,50190669   
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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181864
PNG
(CHEMBL3818368)
Show SMILES Nc1nc2[nH]c(SCc3ccccc3[N+]([O-])=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H10N6O3S/c13-11-15-9-8(10(19)17-11)14-12(16-9)22-5-6-3-1-2-4-7(6)18(20)21/h1-4H,5H2,(H4,13,14,15,16,17,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 5.70E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181864
PNG
(CHEMBL3818368)
Show SMILES Nc1nc2[nH]c(SCc3ccccc3[N+]([O-])=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H10N6O3S/c13-11-15-9-8(10(19)17-11)14-12(16-9)22-5-6-3-1-2-4-7(6)18(20)21/h1-4H,5H2,(H4,13,14,15,16,17,19)
PDB

KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50190669
PNG
(CHEMBL3983611)
Show SMILES CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP as substrate after 3 mins by colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50190628
PNG
(CHEMBL3827975)
Show SMILES N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181865
PNG
(CHEMBL3818003)
Show SMILES Nc1nc2[nH]c(SCc3ccccc3Cl)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H10ClN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)
PDB

KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair