BindingDB PrimarySearch

BDBM11694 (2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carbonitrile::BMCL15687 Compound 3::CHEMBL307636::Cyclohexylglycine-(2S)-cyanopyrolidine 3::Cyclohexylglycine-(2S)-cyanopyrrolidine 2

SMILES: N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=SXNUNNAPZNTPQV-RYUDHWBXSA-N

Data: 3 KI 18 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 11694
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro test for inhibitory activity against human dipeptidyl peptidase IV.				Bioorg Med Chem Lett 6: 1163-1166 (1996) Article DOI: 10.1016/0960-894X(96)00190-4 BindingDB Entry DOI: 10.7270/Q279455Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Binding affinity towards Dipeptidyl peptidase IV (DPP-IV)				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem 17: 1783-802 (2009) Article DOI: 10.1016/j.bmc.2009.01.061 BindingDB Entry DOI: 10.7270/Q2VD70DJ
Matrix Laboratories Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH
National Health Research Institutes					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH
National Health Research Institutes					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Rattus norvegicus (rat))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Bos taurus)	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl-peptidase II (DPP-II) extracted from bovine kidney homogenate				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Rattus norvegicus (rat))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from rat plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase II (DPP II) obtained form bovine kidney homogenate				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Post-proline cleaving enzyme (PPCE) obtained from human erythrocytes				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	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	3.15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory concentration against Dipeptidyl-peptidase 8				Bioorg Med Chem Lett 15: 3271-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.051 BindingDB Entry DOI: 10.7270/Q2RF5TJX
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or DPP-VII				Bioorg Med Chem Lett 15: 3271-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.051 BindingDB Entry DOI: 10.7270/Q2RF5TJX
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	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	12	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]				Bioorg Med Chem Lett 15: 3271-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.051 BindingDB Entry DOI: 10.7270/Q2RF5TJX
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	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	12	n/a	n/a	n/a	n/a	8.0	37
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				J Med Chem 49: 373-80 (2006) Article DOI: 10.1021/jm0507781 BindingDB Entry DOI: 10.7270/Q28W3BJH
National Health Research Institutes					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				Bioorg Med Chem Lett 15: 687-91 (2005) Article DOI: 10.1016/j.bmcl.2004.11.023 BindingDB Entry DOI: 10.7270/Q2XG9PDW
National Health Research Institutes					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	8.0	37
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				Bioorg Med Chem Lett 15: 687-91 (2005) Article DOI: 10.1016/j.bmcl.2004.11.023 BindingDB Entry DOI: 10.7270/Q2XG9PDW
National Health Research Institutes					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES Show InChI	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	12	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				Bioorg Med Chem Lett 15: 687-91 (2005) Article DOI: 10.1016/j.bmcl.2004.11.023 BindingDB Entry DOI: 10.7270/Q2XG9PDW
National Health Research Institutes					More data for this Ligand-Target Pair