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SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O

InChI Key: InChIKey=JGBKTEBOXQKXIS-PHGOAHNDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50197535   
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))
BDBM50197535
PNG
(CHEMBL3892421)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O |r,THB:10:8:5.4:1|
Show InChI InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)26-22(30)20(15-17-9-5-4-6-10-17)28-35(33,34)27-19(23(31)32)11-7-8-14-29/h17-21,27-29H,4-16H2,1-3H3,(H,26,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

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 in presence of 1% human serum albumin 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