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BDBM50198875 3-[(2S,4S)-4-(5-bromo-1-indolinyl)-2-pyrrolidinylcarbonyl]-1,3-thiazolidine::CHEMBL223916

SMILES: Brc1ccc2N(CCc2c1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

InChI Key: InChIKey=MFXIKULCYIAANA-KBPBESRZSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50198875   
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


(Homo sapiens (Human))
BDBM50198875
PNG
(3-[(2S,4S)-4-(5-bromo-1-indolinyl)-2-pyrrolidinylc...)
Show SMILES Brc1ccc2N(CCc2c1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C16H20BrN3OS/c17-12-1-2-15-11(7-12)3-4-20(15)13-8-14(18-9-13)16(21)19-5-6-22-10-19/h1-2,7,13-14,18H,3-6,8-10H2/t13-,14-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50198875
PNG
(3-[(2S,4S)-4-(5-bromo-1-indolinyl)-2-pyrrolidinylc...)
Show SMILES Brc1ccc2N(CCc2c1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C16H20BrN3OS/c17-12-1-2-15-11(7-12)3-4-20(15)13-8-14(18-9-13)16(21)19-5-6-22-10-19/h1-2,7,13-14,18H,3-6,8-10H2/t13-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.7n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


Bioorg Med Chem 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair