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

SMILES: CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C

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)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile salt export pump (Human)	BDBM82016 (Diprophylline | NSC_3182 | CAS_479-18-5 | DYPHYLLI...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Adenosine receptor A1 (Rat)	BDBM82016 (Diprophylline | NSC_3182 | CAS_479-18-5 | DYPHYLLI...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Bovine)	BDBM82016 (Diprophylline | NSC_3182 | CAS_479-18-5 | DYPHYLLI...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM82016 (Diprophylline | NSC_3182 | CAS_479-18-5 | DYPHYLLI...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair