BDBM50351402 CHEMBL1819090

SMILES: Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O

InChI Key: InChIKey=XCTNLNITUUOHNO-JOCHJYFZSA-N

Data: 18 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 18 hits for monomerid = 50351402   

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
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 FAPalpha				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+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				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 DPP2				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 prolyl oligopeptidase				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Membrane-bound aminopeptidase P (APP2) (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 aminopeptidase P				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	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 Binding affinity to muscarinic receptor 1				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB 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 Binding affinity to muscarinic receptor 2				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Binding affinity to muscarinic receptor 4				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	3.00E+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 human ERG				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	>5.00E+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				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 CYP2C8				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	>5.00E+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 CYP2C9				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	>5.00E+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 CYP2C19				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	>5.00E+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 CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/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	>5.00E+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 CYP2A6				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair