null

SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12

InChI Key InChIKey=FPVKHBSQESCIEP-JQCXWYLXSA-N

PDB links: 4 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 22925   

TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.000100nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MC916HPubMedDrugBank
TargetAdenosine deaminase(Bos taurus (bovine))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.00100nMAssay Description:Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KD1ZHQPubMedMMDB
TargetAdenosine deaminase(Bos taurus (bovine))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.00100nMAssay Description:Binding affinity towards calf spleen adenosine deaminase was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GM882DPubMedMMDB
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.00250nMAssay Description:The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29Z95GTPubMedDrugBank
TargetAdenosine deaminase(Bos taurus (bovine))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.00250nMAssay Description:Binding affinity (Ki) at calf intestinal adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SQ9118PubMedMMDB
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.00300nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0M78PubMedDrugBank
TargetAdenosine deaminase(Bos taurus (bovine))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.0100nMAssay Description:Binding affinity against Adenosine deaminase from calf intestinal mucosa was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28K79MDPubMedMMDB
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.0260nMAssay Description:Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T1571NPubMedDrugBank
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.0330nM ΔG°:  -14.1kcal/molepH: 7.4 T: 2°CAssay Description:The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29Z936DPubMedDrugBank
TargetAdenosine deaminase(Plasmodium falciparum)
Universit£ Montpellier

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.0380nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as equilibrium dissocia...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T1571NPubMed
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.100nMAssay Description:Compound was evaluated for the inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22N52T8PubMedDrugBank
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  0.5nMAssay Description:Inhibition of human erythrocytes ADA assessed as reduction in formation of inosine using adenosine as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T1571NPubMedDrugBank
TargetAdenosine deaminase(Plasmodium falciparum)
Universit£ Montpellier

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataKi:  8.20nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as reduction in formati...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T1571NPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed