BDBM50253621 (S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxopentanoic acid::CHEMBL494497

SMILES: N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O

InChI Key: InChIKey=DMTPQYQQHYOTQM-BQBZGAKWSA-N

Data: 3 KI  2 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 12 hits for monomerid = 50253621   

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 4 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP8 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dipeptidyl peptidase II (DPP2) (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Homeobox protein PKNOX1 (Human)	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DPP8/9 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	3.30E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Trustees of Tufts College US Patent					Assay Description The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...				US Patent US8933056 (2015) BindingDB Entry DOI: 10.7270/Q2ST7NJQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	2.0	n/a
Trustees of Tufts College US Patent					Assay Description The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...				US Patent US8933056 (2015) BindingDB Entry DOI: 10.7270/Q2ST7NJQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50253621 ((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...) Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair