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BDBM50317108 2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)-1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one::CHEMBL1087230

SMILES: O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1Cc2cccn2C1=O

InChI Key: InChIKey=CQWUDWSWXJFXHG-ANBDAQEENA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50317108   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50317108
PNG
(2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1Cc2cccn2C1=O
Show InChI InChI=1/C24H24ClN3O5S/c25-18-5-3-17-13-21(6-4-16(17)12-18)34(32,33)15-22(29)23(30)26-10-7-19(8-11-26)28-14-20-2-1-9-27(20)24(28)31/h1-6,9,12-13,19,22,29H,7-8,10-11,14-15H2/t22-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair