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BDBM82048 Ado-5'-cyclopropylcarboxamide

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=JWDFVPGQACZVAV-AKAIJSEGSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 82048   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82048
PNG
(Ado-5'-cyclopropylcarboxamide)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H18N6O4/c15-11-8-12(18-4-17-11)20(5-19-8)14-10(22)9(21)7(24-14)3-16-13(23)6-1-2-6/h4-7,9-10,14,21-22H,1-3H2,(H,16,23)(H2,15,17,18)/t7-,9-,10-,14-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
6.44n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM82048
PNG
(Ado-5'-cyclopropylcarboxamide)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H18N6O4/c15-11-8-12(18-4-17-11)20(5-19-8)14-10(22)9(21)7(24-14)3-16-13(23)6-1-2-6/h4-7,9-10,14,21-22H,1-3H2,(H,16,23)(H2,15,17,18)/t7-,9-,10-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
13.4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair