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BDBM50404252 BMY-40900::DDI::DIDANOSINE

SMILES: OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O

InChI Key: InChIKey=BXZVVICBKDXVGW-NKWVEPMBSA-N

Data: 6 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50404252   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/a 7.15E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells


Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/an/a 0.440n/an/an/an/an/a



Mercer University

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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/a 5.37E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells


Bioorg Med Chem Lett 14: 3173-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.008
BindingDB Entry DOI: 10.7270/Q2862HNN
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50404252
PNG
(BMY-40900 | DDI | DIDANOSINE)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair