BDBM50229738 CHEMBL4087027

SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key InChIKey=SBHHAJOLSBKKBX-JWKNPDOPSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50229738   

TargetCoagulation factor XII(Homo sapiens (Human))
Ecole Polytechnique F�D�Rale De Lausanne (Epfl)

Curated by ChEMBL
LigandPNGBDBM50229738(CHEMBL4087027)
Affinity DataKi:  1.60nMAssay Description:Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasma kallikrein(Homo sapiens (Human))
Ecole Polytechnique F�D�Rale De Lausanne (Epfl)

Curated by ChEMBL
LigandPNGBDBM50229738(CHEMBL4087027)
Affinity DataKi:  4.51E+4nMAssay Description:Inhibition of human plasma kallikrein using fluorogenic substrate Z-Phe-Arg-AMCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed