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BDBM82066 ddCHA

SMILES: OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12

InChI Key: InChIKey=VNLBSPUULCIVCQ-QWHCGFSZSA-N

Data: 2 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 2 hits for monomerid = 82066   
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))
BDBM82066
PNG
(ddCHA)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13+/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PubMed
4.80E+3n/an/an/an/an/an/an/an/a



Pharmakologisches Institut

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM82066
PNG
(ddCHA)
Show SMILES OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pharmakologisches Institut

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair