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BDBM82016 CAS_479-18-5::DYPHYLLINE::Dihydroxypropyltheophylline::Diprophylline::Dylin::Dylix::Lufyllin::NSC_3182::Neothylline

SMILES: Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O

InChI Key: InChIKey=KSCFJBIXMNOVSH-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 82016   
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))
BDBM82016
PNG
(CAS_479-18-5 | DYPHYLLINE | Dihydroxypropyltheophy...)
Show SMILES Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM82016
PNG
(CAS_479-18-5 | DYPHYLLINE | Dihydroxypropyltheophy...)
Show SMILES Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
PDB
MMDB

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B.MOAD
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DrugBank
KEGG
PC cid
PC sid
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UniChem

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



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM82016
PNG
(CAS_479-18-5 | DYPHYLLINE | Dihydroxypropyltheophy...)
Show SMILES Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair