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SMILES: CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O

InChI Key: InChIKey=KICGILUGWUOIGK-BXOWXZKISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50197568   
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
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50197568
PNG
(CHEMBL3972493)
Show SMILES CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O |r,TLB:24:25:29.28:32|
Show InChI InChI=1S/C27H48N4O6S/c1-18(32)28-15-9-8-12-21(25(34)35)30-38(36,37)31-22(16-19-10-6-5-7-11-19)24(33)29-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,30-31H,5-17H2,1-4H3,(H,28,32)(H,29,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1
PDB
MMDB

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



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair