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BDBM12568 2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]sulfonamido]acetamide::GTC000005A::pyrrolidin-2-one-based inhibitor 27

SMILES: C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=DRTYVXQQGDRUEW-YWZLYKJASA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 12568   
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))
BDBM12568
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
3 -11.6n/an/an/an/an/a7.825



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: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12568
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1
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D3R
n/an/a 4.41n/an/an/an/an/an/a



D3R



Assay Description
D3R246


D3R 246: (2015)


BindingDB Entry DOI: 10.7270/Q2BV7FGN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12568
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1
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D3R
n/an/a 21.2n/an/an/an/an/an/a



D3R



Assay Description
D3R245


D3R 245: (2015)


BindingDB Entry DOI: 10.7270/Q2GM865X
More data for this
Ligand-Target Pair