BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50046355   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Albumin


(Homo sapiens (Human))
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |r,c:18|
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50145605
PNG
(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50366817
PNG
(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50107843
PNG
((-)-FTC | 524W91 | BW-524W91 | CHEBI:31536 | Emtri...)
Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1 |r|
Show InChI InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair