BDBM50332229 (R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro-2-methylbenzyl)-3-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one hydrochloride::CHEMBL1287901

SMILES: Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1

InChI Key: InChIKey=GIIWTKKFXUTBGE-OAQYLSRUSA-N

Data: 6 IC50

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 6 hits for monomerid = 50332229   

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
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair