Affinity Data by PDB ID

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
  - Host Guest Systems
  - Prot-Lig Validation 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 2MJI

Identical Ligands in BindingDB

Found 2 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
Intestinal fatty acid-binding protein (hIFABP) (131/131 = 100%)^† (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 \| KETOROLAC \| Ketorolac tris salt \|...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.40E+3	-54.5	n/a	n/a	n/a	n/a	n/a	n/a	293.15
Monash University					Assay Description Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...				ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C
Monash University					More data for this Ligand-Target Pair				3D Structure (crystal)
Intestinal fatty acid-binding protein (hIFABP) (131/131 = 100%)^† (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 \| KETOROLAC \| Ketorolac tris salt \|...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.67E+4	n/a	n/a	n/a	8.0	37
Monash University					Assay Description ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...				ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C
Monash University					More data for this Ligand-Target Pair				3D Structure (crystal)

Identical Ligands in BindingDB

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Intestinal fatty acid-binding protein (hIFABP) (131/131 = 100%)^† (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 \| KETOROLAC \| Ketorolac tris salt \|...)	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		-25.2	-25.5	0.300	4.24	8	37
Monash University		GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		ACS Chem Biol 9: 2526-34 (2014)

Similar Ligands in BindingDB^*

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Intestinal fatty acid-binding protein (hIFABP) (131/131 = 100%)^† (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 \| KETOROLAC \| Ketorolac tris salt \|...)	GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		-25.2	-25.5	0.300	4.24	8	37
Monash University		GoogleScholar PDB	DrugBank KEGG PC cid PC sid PDB		ACS Chem Biol 9: 2526-34 (2014)

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