BDBM81981 7-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)theophylline::CAS_82190-91-8::Flufyllin::Flufylline::NSC_71255::Sgd-19578

SMILES: Cn1c2ncn(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O

InChI Key: InChIKey=PMEYQPKJAPXGPS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 81981   

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
5-hydroxytryptamine receptor 2A (Rat)	BDBM81981 (NSC_71255 | CAS_82190-91-8 | Flufylline | Flufylli...) Show SMILES Show InChI	GoogleScholar	UniChem		4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-1A adrenergic receptor (Rat)	BDBM81981 (NSC_71255 | CAS_82190-91-8 | Flufylline | Flufylli...) Show SMILES Show InChI	GoogleScholar	UniChem		120	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
Alpha-2C adrenergic receptor (Rat)	BDBM81981 (NSC_71255 | CAS_82190-91-8 | Flufylline | Flufylli...) Show SMILES Show InChI	GoogleScholar	UniChem		417	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