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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Bombesin receptor subtype-3
Species	Homo sapiens (Human)
Gene	BRS3
Synonym	bombesin receptor subtype-3 BRS-3 bombesin like receptor 3 BB3 receptor bb3
Disease	Breast cancer Cancer
Length	399
Amino acid sequence	MAQRQPHSPNQTLISITNDTESSSSVVSNDNTNKGWSGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGRIGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCVKAGCVWIVSMIFALPEAIFSNVYTFRDPNKNMTFESCTSYPVSKKLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIARTVLVLVALFALCWLPNHLLYLYHSFTSQTYVDPSAMHFIFTIFSRVLAFSNSCVNPFALYWLSKSFQKHFKAQLFCCKAERPEPPVADTSLTTLAVMGTVPGTGSIQMSEISVTSFTGCSVKQAEDRF
UniProt	P32247
Protein Data Bank	N/A
GPCR-HGmod model	P32247
3D structure model	This predicted structure model is from GPCR-EXP P32247.
BioLiP	N/A
Therapeutic Target Database	T68887
ChEMBL	CHEMBL4080
IUPHAR	40
DrugBank	N/A

Ligand

Name	CHEMBL1096193
Molecular formula	C25H32N6O
IUPAC name	N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)-2-methylpropanamide
Molecular weight	432.572
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50317454 N-(7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)isobutyramide
Inchi Key	VJNYSWSPGHRGJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32N6O/c1-17(2)25(32)27-23-21-19-11-14-30(15-18-9-5-3-6-10-18)16-20(19)24(26-22(21)28-29-23)31-12-7-4-8-13-31/h3,5-6,9-10,17H,4,7-8,11-16H2,1-2H3,(H2,26,27,28,29,32)
PubChem CID	46887982
ChEMBL	CHEMBL1096193
IUPHAR	N/A
BindingDB	50317454
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	37.0 %	PMID20371178	ChEMBL
EC50	4763.0 nM	PMID20371178	BindingDB,ChEMBL

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