BDBM86761 CAS_35920-39-9::NECA::NSC_448222

SMILES CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

InChI Key InChIKey=JADDQZYHOWSFJD-UHFFFAOYSA-N

Data  4 KI

PDB links: 9 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 86761   

TargetAdenosine receptor A1(Human)
Universit�� Di Napoli Federico Ii

LigandPNGBDBM86761(NSC_448222 | CAS_35920-39-9 | NECA)
Affinity DataKi:  14nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Universit�� Di Napoli Federico Ii

LigandPNGBDBM86761(NSC_448222 | CAS_35920-39-9 | NECA)
Affinity DataKi:  16nM ΔG°:  -10.6kcal/molepH: 7.4 T: 2°CAssay Description:Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, pH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine receptor A3(Human)
Hokkaido University

Curated by PDSP Ki Database
LigandPNGBDBM86761(NSC_448222 | CAS_35920-39-9 | NECA)
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Hokkaido University

Curated by PDSP Ki Database
LigandPNGBDBM86761(NSC_448222 | CAS_35920-39-9 | NECA)
Affinity DataKi:  73nM ΔG°:  -9.73kcal/molepH: 7.4 T: 2°CAssay Description:Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 unit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed