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BDBM12544 (2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfonamido]acetamide}-2-oxopyrrolidin-1-yl]-N-[2-(morpholin-4-yl)ethyl]-N-(propan-2-yl)propanamide::P4 alanylamide pyrrolidin-2-one 54

SMILES: CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

InChI Key: InChIKey=MHADKNWFCIXJMD-CPJSRVTESA-N

Data: 1 KI

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12544   
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))		BDBM12544
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C28H38ClN5O6S/c1-19(2)32(11-10-31-12-14-40-15-13-31)27(36)20(3)33-9-8-25(28(33)37)34(18-26(30)35)41(38,39)24-7-5-21-16-23(29)6-4-22(21)17-24/h4-7,16-17,19-20,25H,8-15,18H2,1-3H3,(H2,30,35)/t20-,25-/m0/s1
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Article
PubMed
 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