BindingDB logo
myBDB logout

BDBM82557 I-ABA::IABA::N(6)-(4-Amino-3-iodobenzyl)adenosine

SMILES: Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I

InChI Key: InChIKey=REGZQZHKIFOMRK-LSCFUAHRSA-N

Data: 4 KI

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 4 hits for monomerid = 82557   
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))
BDBM82557
PNG
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)
Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.700n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA


J Med Chem 35: 407-22 (1992)


BindingDB Entry DOI: 10.7270/Q2Z89D1W
More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM82557
PNG
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)
Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)


BindingDB Entry DOI: 10.7270/Q2J67FFH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Oryctolagus cuniculus (rabbit))
BDBM82557
PNG
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)
Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 122-8 (1997)


BindingDB Entry DOI: 10.7270/Q2J67FFH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM82557
PNG
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)
Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 90: 10365-9 (1993)


Article DOI: 10.1073/pnas.90.21.10365
BindingDB Entry DOI: 10.7270/Q24Q7SH0
More data for this
Ligand-Target Pair