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BDBM50249479 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine::CHEMBL515387::PF-00734200::cis-(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone

SMILES: FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1

InChI Key: InChIKey=QWEWGXUTRTXFRF-KBPBESRZSA-N

Data: 16 IC50

PDB links: 1 PDB ID matches this monomer.

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 16 hits for monomerid = 50249479   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3 in human erythrocytes


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 1.26E+5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp technique


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP2


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of rat plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Endopeptidase prolyl oligopeptidase (PREP)


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of POP


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 5.98E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of APP in human leukocytes


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human FAP expressed in african green monkey COS1 cells


Bioorg Med Chem Lett 19: 1991-5 (2009)

More data for this
Ligand-Target Pair