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BDBM12531 (2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]-N-(propan-2-yl)propanamide::P4 alanylamide pyrrolidin-2-one 42

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

InChI Key: InChIKey=HYHOSSUACIGAJZ-JTSKRJEESA-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 = 12531   
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))		BDBM12531
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCN(C)C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C24H33ClN4O4S/c1-16(2)28(13-12-27(4)5)23(30)17(3)29-11-10-22(24(29)31)26-34(32,33)21-9-7-18-14-20(25)8-6-19(18)15-21/h6-9,14-17,22,26H,10-13H2,1-5H3/t17-,22-/m0/s1
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Similars
Article
PubMed
 2n/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