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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  1 IC50

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 4 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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Article
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)


Article DOI: 10.1007/bf00572436
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
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Article
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)


Article DOI: 10.1007/bf00572436
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
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Article
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)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Bile salt export pump


(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

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEBI
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PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair