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BDBM12545 (2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfonamido]acetamide}-2-oxopyrrolidin-1-yl]-N-(propan-2-yl)propanamide::P4 alanylamide pyrrolidin-2-one 55

SMILES: CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

InChI Key: InChIKey=BJVRRVDOTUAUGN-CUNXSJBXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12545   
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))
BDBM12545
PNG
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r,c:7,9,11|
Show InChI InChI=1S/C30H36ClN5O5S/c1-21(2)34(17-16-33-13-6-4-5-7-14-33)29(38)22(3)35-15-12-27(30(35)39)36(20-28(32)37)42(40,41)26-11-9-23-18-25(31)10-8-24(23)19-26/h4-11,13-14,18-19,21-22,27H,12,15-17,20H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
PDB
MMDB

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PC cid
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair