BindingDB PrimarySearch

BDBM50151003 (S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidine-2-carbonitrile::CHEMBL1627303::CHEMBL363250

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

InChI Key: InChIKey=XGNBIYXILDDDQR-DTWKUNHWSA-N

Data: 2 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50151003
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))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.80	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 IV (Sus scrofa (pig))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of porcine Dipeptidylpeptidase IV.				J Med Chem 47: 2587-98 (2004) Article DOI: 10.1021/jm049924d BindingDB Entry DOI: 10.7270/Q2FT8MSQ
Pharmaceutical Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
DPP8/9 (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dipeptidyl peptidase II (DPP2) (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Homeobox protein PKNOX1 (Human)	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against dipeptidyl-peptidase IV				J Med Chem 47: 4135-41 (2004) Article DOI: 10.1021/jm030628v BindingDB Entry DOI: 10.7270/Q2902380
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50151003 ((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...) Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair