Affinity Data by PDB ID

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

PDB code 3HFJ

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Probable nicotinate-nucleotide adenylyltransferase (189/189 = 100%)^† (Bacillus anthracis)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.80E+4	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
Burnham Institute for Medical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase (189/189 = 100%)^† (Bacillus anthracis)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite gre...				J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase (189/189 = 100%)^† (Bacillus anthracis)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of ATP substrate by malachite gree...				J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase (189/189 = 100%)^† (Bacillus anthracis)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
Burnham Institute for Medical Research					More data for this Ligand-Target Pair				3D Structure (crystal)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output