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BDBM13300 3-{[(3S)-3-{[5-(2-methoxypyrimidin-4-yl)thiophene-2-]sulfonamido}-2-oxopyrrolidin-1-yl]methyl}benzene-1-carboximidamide::Sulfonamidopyrrolidinone 3m

SMILES: COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O

InChI Key: InChIKey=IPTDWSONQGTYHA-INIZCTEOSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13300   
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))
BDBM13300
PNG
(3-{[(3S)-3-{[5-(2-methoxypyrimidin-4-yl)thiophene-...)
Show SMILES COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C21H22N6O4S2/c1-31-21-24-9-7-15(25-21)17-5-6-18(32-17)33(29,30)26-16-8-10-27(20(16)28)12-13-3-2-4-14(11-13)19(22)23/h2-7,9,11,16,26H,8,10,12H2,1H3,(H3,22,23)/t16-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
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Patents

Article
PubMed
150n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13300
PNG
(3-{[(3S)-3-{[5-(2-methoxypyrimidin-4-yl)thiophene-...)
Show SMILES COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C21H22N6O4S2/c1-31-21-24-9-7-15(25-21)17-5-6-18(32-17)33(29,30)26-16-8-10-27(20(16)28)12-13-3-2-4-14(11-13)19(22)23/h2-7,9,11,16,26H,8,10,12H2,1H3,(H3,22,23)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair