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BDBM50275970 CHEMBL4125816

SMILES: CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(F)cccc2F)CN1

InChI Key: InChIKey=XGUKHHFBIHAJDV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50275970   
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
Kallikrein-7


(Mus musculus)
BDBM50275970
PNG
(CHEMBL4125816)
Show SMILES CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(F)cccc2F)CN1
Show InChI InChI=1S/C26H29F2N7O2/c1-33(2)32-24-15-35(26(37)18(12-29-24)11-21-22(27)8-5-9-23(21)28)16-25(36)31-20-7-4-6-17(10-20)19-13-30-34(3)14-19/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,29,32)(H,31,36)
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse KLK7 using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addi...


Bioorg Med Chem 26: 3639-3653 (2018)


BindingDB Entry DOI: 10.7270/Q27D2XNC
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50275970
PNG
(CHEMBL4125816)
Show SMILES CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(F)cccc2F)CN1
Show InChI InChI=1S/C26H29F2N7O2/c1-33(2)32-24-15-35(26(37)18(12-29-24)11-21-22(27)8-5-9-23(21)28)16-25(36)31-20-7-4-6-17(10-20)19-13-30-34(3)14-19/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,29,32)(H,31,36)
PDB
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KEGG

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UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged KLK7 (E23 to H252 residues) using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as su...


Bioorg Med Chem 26: 3639-3653 (2018)


BindingDB Entry DOI: 10.7270/Q27D2XNC
More data for this
Ligand-Target Pair