Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | >3.73 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 529 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Streptavidin (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Research and Development, LLC Curated by ChEMBL | Assay Description Binding affinity to Streptomyces avidinii streptavidin by NMR analysis | J Med Chem 57: 7819-37 (2014) Article DOI: 10.1021/jm500325k BindingDB Entry DOI: 10.7270/Q2JW8GH3 | |||||||||||
More data for this Ligand-Target Pair |
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 |
---|---|---|---|---|---|---|---|---|---|---|
BirA Bifunctional Protein (Escherichia coli) | BDBM19478 (BTX | bio-5-AMP | biotinyl-5-AMP | {[(2R,3S,4R,5R)...) | DrugBank GoogleScholar KEGG PDB | CHEBI KEGG PC cid PC sid PDB | -58.1 | -6.68 | -51.4 | 10.4 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein (Escherichia coli) | BDBM19478 (BTX | bio-5-AMP | biotinyl-5-AMP | {[(2R,3S,4R,5R)...) | DrugBank GoogleScholar KEGG PDB | CHEBI KEGG PC cid PC sid PDB | -58.1 | -6.68 | -51.4 | 10.4 | 7.5 | 20 | |
University of Maryland | Biochemistry 44: 3112-21 (2005) | |||||||||
BirA Bifunctional Protein (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -49.4 | -7.94 | -41.4 | 8.83 | 7.5 | 20 | |
University of Maryland | Biochemistry 44: 3112-21 (2005) | |||||||||
BirA Bifunctional Protein (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -49.3 | -8.77 | -41.4 | 8.85 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V219A) (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -46.0 | 9.62 | -55.6 | 8.24 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V219A) (Escherichia coli) | BDBM19478 (BTX | bio-5-AMP | biotinyl-5-AMP | {[(2R,3S,4R,5R)...) | GoogleScholar PDB | CHEBI KEGG PC cid PC sid PDB | -45.6 | 17.6 | -63.1 | 8.16 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V214A) (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -45.6 | 9.18 | -54.8 | 8.16 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V214A) (Escherichia coli) | BDBM19478 (BTX | bio-5-AMP | biotinyl-5-AMP | {[(2R,3S,4R,5R)...) | GoogleScholar PDB | CHEBI KEGG PC cid PC sid PDB | -44.7 | 25.5 | -66.5 | 8.01 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (W223A) (Escherichia coli) | BDBM19478 (BTX | bio-5-AMP | biotinyl-5-AMP | {[(2R,3S,4R,5R)...) | GoogleScholar PDB | CHEBI KEGG PC cid PC sid PDB | -43.9 | -4.19 | -39.3 | 7.85 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V219A) (Escherichia coli) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -41.8 | 38.9 | -81.1 | 7.42 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (W223A) (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -41.8 | -8.56 | -33.4 | 7.41 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V214A) (Escherichia coli) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -41.4 | 40.1 | -81.5 | 7.42 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein (Escherichia coli) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | DrugBank GoogleScholar KEGG PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -41.3 | 38.9 | -80.3 | 7.38 | 7.5 | 20 | |
University of Maryland | Biochemistry 44: 3112-21 (2005) | |||||||||
BirA Bifunctional Protein (Escherichia coli) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | DrugBank GoogleScholar KEGG PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -41.1 | 39.3 | -81.1 | 7.37 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (W223A) (Escherichia coli) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | -41.0 | 41.0 | -81.9 | 7.33 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
Streptavidin (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -102 | n/a | n/a | 25 | |
University of Washington | J Am Chem Soc 117: 10622-10628 (1995) | |||||||||
Streptavadin(W79F) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -109 | n/a | n/a | 25.3 | |
University of Washington | J Am Chem Soc 117: 10622-10628 (1995) | |||||||||
Streptavadin(W108F) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -98.2 | n/a | n/a | 25.2 | |
University of Washington | J Am Chem Soc 117: 10622-10628 (1995) | |||||||||
Streptavadin(W120F) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -81.1 | n/a | n/a | 25 | |
University of Washington | J Am Chem Soc 117: 10622-10628 (1995) | |||||||||
Streptavadin(Y43A) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -66.9 | n/a | 7 | 25 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavidin (Y43F) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -115 | n/a | 7 | 25 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavidin (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -104 | n/a | 7 | 25 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(N23A) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -90.0 | n/a | 7 | 37 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(N23E) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -108 | n/a | 7 | 37 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(S27A) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -103 | n/a | 7 | 37 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(Y43A) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -90.4 | n/a | 7 | 37 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavidin (Y43F) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -118 | n/a | 7 | 37 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavidin (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -123 | n/a | 7 | 37 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(S27A) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -97.5 | n/a | 7 | 25 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(N23E) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -100 | n/a | 7 | 25 | |
University of Washington | Biochemistry 37: 7657-63 (1998) | |||||||||
Streptavadin(N23A) (Streptomyces avidinii) | BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...) | GoogleScholar PDB | CHEBI DrugBank KEGG MMDB PC cid PC sid PDB | n/a | n/a | -75.3 | n/a | 7 | 25 | |
University of Washington | Biochemistry 37: 7657-63 (1998) |