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 3GI5

Identical Ligands in BindingDB

Found 5 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 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Protease (99/99 = 100%)^† (Human immunodeficiency virus type 1)	BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES Show InChI	PDB MMDB GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
University of Massachusetts Medical School					More data for this Ligand-Target Pair
HIV-1 Protease Mutant M2 (D30N, L63P, N88D) (97/99 = 98%)^† (Human immunodeficiency virus type 1)	BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES Show InChI	PDB MMDB GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
University of Massachusetts Medical School					More data for this Ligand-Target Pair
HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A) (95/99 = 96%)^† (Human immunodeficiency virus type 1)	BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES Show InChI	PDB MMDB GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
University of Massachusetts Medical School					More data for this Ligand-Target Pair
HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) (94/99 = 95%)^† (Human immunodeficiency virus type 1)	BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES Show InChI	PDB MMDB GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	3.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
University of Massachusetts Medical School					More data for this Ligand-Target Pair
Protease (92/99 = 93%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET				J Med Chem 53: 7699-708 (2010) Article DOI: 10.1021/jm1008743 BindingDB Entry DOI: 10.7270/Q2BZ68WM
					More data for this Ligand-Target Pair

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by ki
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