BDBM50598287 CHEMBL5183937

SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CO)C(N)=O

InChI Key InChIKey=JSRXQKQUBCSKBL-UHFFFAOYSA-N

Data  1 KI  1 Kd

  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 = 50598287   

TargetKallikrein-7(Human)
Ecole Polytechnique F�D�Rale De Lausanne (Epfl)

Curated by ChEMBL
LigandPNGBDBM50598287(CHEMBL5183937)
Affinity DataKi:  106nMAssay Description:Inhibition of C-terminal poly-His-tagged human recombinant KLK7 (30 to 253 residues) transfected in CHO cells assessed as inhibition constant using K...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAlbumin(Human)
Ecole Polytechnique F�D�Rale De Lausanne (Epfl)

Curated by ChEMBL
LigandPNGBDBM50598287(CHEMBL5183937)
Affinity DataKd:  168nMAssay Description:Binding affinity to human serum albumin by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed