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BDBM50390163 CHEMBL2069841

SMILES: N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=BNVVNCVXADUCNT-GGYSOQFKNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50390163   
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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50390163
PNG
(CHEMBL2069841)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C22H21F6N3O3/c23-17-12-19(25)18(24)10-14(17)9-15(29)11-20(32)30-5-7-31(8-6-30)21(33)13-1-3-16(4-2-13)34-22(26,27)28/h1-4,10,12,15H,5-9,11,29H2/t15-/s2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390163
PNG
(CHEMBL2069841)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C22H21F6N3O3/c23-17-12-19(25)18(24)10-14(17)9-15(29)11-20(32)30-5-7-31(8-6-30)21(33)13-1-3-16(4-2-13)34-22(26,27)28/h1-4,10,12,15H,5-9,11,29H2/t15-/s2
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64.6n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair