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BDBM17641 5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide::N-[(3S)-2-oxopyrrolidin-3-yl]sulfonamide, 1b

SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=NAHOZYBRUMVDSR-STQMWFEESA-N

Data: 1 KI

PDB links: 1 PDB ID matches 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 = 17641   
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/antithrombin III


(Homo sapiens (human))
BDBM17641
PNG
(5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morph...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1
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Similars

MMDB
PDB
Article
PubMed
4 -11.3n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...


J Med Chem 50: 1546-57 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)