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BDBM12536 (2S)-N-[3-(carbamoylamino)propyl]-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]-N-(propan-2-yl)propanamide::P4 alanylamide pyrrolidin-2-one 47

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

InChI Key: InChIKey=LPFRYZFMDLZOOO-KKSFZXQISA-N

Data: 1 KI

PDB links: 1 PDB ID contains 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 = 12536   
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))		BDBM12536
PNG
((2S)-N-[3-(carbamoylamino)propyl]-2-[(3S)-3-[(6-ch...)
Show SMILES CC(C)N(CCCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
Show InChI InChI=1S/C24H32ClN5O5S/c1-15(2)29(11-4-10-27-24(26)33)22(31)16(3)30-12-9-21(23(30)32)28-36(34,35)20-8-6-17-13-19(25)7-5-18(17)14-20/h5-8,13-16,21,28H,4,9-12H2,1-3H3,(H3,26,27,33)/t16-,21-/m0/s1
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Article
PubMed
 5n/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