BDBM44616 3-[(E)-cinnamyl]-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone::9-(4-fluorophenyl)-1-methyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione::MLS000083685::SMR000047699::cid_5390009

SMILES: Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1

InChI Key: InChIKey=ODGXFNPPUQUINE-WEVVVXLNSA-N

Data: 1 IC50  1 EC50

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 = 44616   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM44616 (3-[(E)-cinnamyl]-9-(4-fluorophenyl)-1-methyl-7,8-d...) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c1-27-21-20(22(31)30(24(27)32)14-5-9-17-7-3-2-4-8-17)29-16-6-15-28(23(29)26-21)19-12-10-18(25)11-13-19/h2-5,7-13H,6,14-16H2,1H3/b9-5+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2348HSG
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44616 (3-[(E)-cinnamyl]-9-(4-fluorophenyl)-1-methyl-7,8-d...) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c1-27-21-20(22(31)30(24(27)32)14-5-9-17-7-3-2-4-8-17)29-16-6-15-28(23(29)26-21)19-12-10-18(25)11-13-19/h2-5,7-13H,6,14-16H2,1H3/b9-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair