BDBM50391565 CHEMBL2147777

SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1

InChI Key InChIKey=WGRQANOPCQRCME-PMACEKPBSA-N

Data  4 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50391565   

TargetDipeptidyl peptidase 4(Rattus norvegicus (rat))
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50391565(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
Affinity DataIC50: 0.290nMAssay Description:Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 8(Homo sapiens (Human))
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50391565(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
Affinity DataIC50: 260nMAssay Description:Inhibition of human DPP8 using GLY-Pro-MCA as substrate after 30 mins by cell-based fluorescence assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50391565(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
Affinity DataKd:  0.410nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50391565(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
Affinity DataIC50: 0.370nMAssay Description:Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50391565(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
Affinity DataKd:  12nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 9(Homo sapiens (Human))
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50391565(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
Affinity DataIC50: 540nMAssay Description:Inhibition of human DPP9 using GLY-Pro-MCA as substrate after 30 mins by cell-based fluorescence assayMore data for this Ligand-Target Pair