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9 similar compounds to monomer 50388931

Wt: 244.3
BDBM12
Purchase
Wt: 230.3
BDBM50388927
Wt: 244.3
BDBM50388928
Wt: 215.3
BDBM50388929
Wt: 229.3
BDBM50388930
Wt: 228.3
BDBM50388932
Wt: 224.3
BDBM50388933
Wt: 238.3
BDBM50388934
Wt: 252.3
BDBM50388935

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 12,50388927,50388928,50388929,50388930,50388932,50388933,50388934,50388935   
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
Biotin--protein ligase


(Homo sapiens)
BDBM50388933
PNG
(CHEMBL2063403)
Show SMILES O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1
Show InChI InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388934
PNG
(CHEMBL2063404)
Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCC#C)[C@H]2N1
Show InChI InChI=1S/C12H18N2OS/c1-2-3-4-5-6-7-10-11-9(8-16-10)13-12(15)14-11/h1,9-11H,3-8H2,(H2,13,14,15)/t9-,10-,11-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388927
PNG
(CHEMBL2063398)
Show SMILES OCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C10H18N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h7-9,13H,1-6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1
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3.85E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388932
PNG
(CHEMBL2062535)
Show SMILES CCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C11H20N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h8-10H,2-7H2,1H3,(H2,12,13,14)/t8-,9-,10-/m0/s1
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6.43E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388935
PNG
(CHEMBL2063405)
Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCCC#C)[C@H]2N1
Show InChI InChI=1S/C13H20N2OS/c1-2-3-4-5-6-7-8-11-12-10(9-17-11)14-13(16)15-12/h1,10-12H,3-9H2,(H2,14,15,16)/t10-,11-,12-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388930
PNG
(CHEMBL2063401)
Show SMILES NCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C10H19N3OS/c11-5-3-1-2-4-8-9-7(6-15-8)12-10(14)13-9/h7-9H,1-6,11H2,(H2,12,13,14)/t7-,8-,9-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388928
PNG
(CHEMBL2063399)
Show SMILES OCCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C11H20N2O2S/c14-6-4-2-1-3-5-9-10-8(7-16-9)12-11(15)13-10/h8-10,14H,1-7H2,(H2,12,13,15)/t8-,9-,10-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Biotin--protein ligase


(Homo sapiens)
BDBM50388929
PNG
(CHEMBL2063400)
Show SMILES NCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C9H17N3OS/c10-4-2-1-3-7-8-6(5-14-7)11-9(13)12-8/h6-8H,1-5,10H2,(H2,11,12,13)/t6-,7-,8-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM12
PNG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
Show SMILES OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
PDB
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PCBioAssay
n/an/a>3.73n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM12
PNG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
Show SMILES OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
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n/an/a 529n/an/an/an/an/an/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...


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


(Streptomyces avidinii)
BDBM12
PNG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
Show SMILES OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
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Article
PubMed
n/an/an/a 1n/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 21 hits for monomerid = 12,50388927,50388928,50388929,50388930,50388932,50388933,50388934,50388935
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Streptavidin

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
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PDB
CHEBI
DrugBank
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PC cid
PC sid
PDB
n/an/a-29.4n/a737



TBA





Biochemistry 37: 7657-63 (1998)

Streptavidin (Y43F)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
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PC cid
PC sid
PDB
n/an/a-28.2n/a737



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(Y43A)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
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CHEBI
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PC cid
PC sid
PDB
n/an/a-21.6n/a737



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(S27A)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
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CHEBI
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PC sid
PDB
n/an/a-24.5n/a737



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23E)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
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CHEBI
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PC sid
PDB
n/an/a-25.7n/a737



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23A)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-21.5n/a737



TBA





Biochemistry 37: 7657-63 (1998)

Streptavidin

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-24.9n/a725



TBA





Biochemistry 37: 7657-63 (1998)

Streptavidin (Y43F)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-27.5n/a725



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(Y43A)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-16.0n/a725



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(S27A)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-23.3n/a725



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23E)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-24.0n/a725



TBA





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23A)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-18.0n/a725



TBA





Biochemistry 37: 7657-63 (1998)

BirA Bifunctional Protein

(Escherichia coli)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-9.829.39-19.47.377.520



University of Maryland College Park





J Mol Biol 373: 96-111 (2007)

BirA Bifunctional Protein Mutant (W223A)

(Escherichia coli)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-9.789.78-19.67.337.520



University of Maryland College Park





J Mol Biol 373: 96-111 (2007)

BirA Bifunctional Protein Mutant (V214A)

(Escherichia coli)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-9.889.59-19.57.427.520



University of Maryland College Park





J Mol Biol 373: 96-111 (2007)

BirA Bifunctional Protein

(Escherichia coli)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-9.879.28-19.27.387.520



University of Maryland





Biochemistry 44: 3112-21 (2005)

BirA Bifunctional Protein Mutant (V219A)

(Escherichia coli)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-9.989.28-19.47.427.520



University of Maryland College Park





J Mol Biol 373: 96-111 (2007)

Streptavidin

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-24.5n/an/a25



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W79F)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-26.0n/an/a25.3



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W108F)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-23.5n/an/a25.2



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W120F)

(Streptomyces avidinii)
BDBM12
JPEG
(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/an/a-19.4n/an/a25



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)