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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50093154   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50093154
PNG
(CHEMBL448786 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(=N)c1ccc(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C38H52N8O6/c39-35(40)29-13-7-27(8-14-29)11-17-33(47)43-19-23-45(24-20-43)37(49)51-31-3-1-4-32(6-2-5-31)52-38(50)46-25-21-44(22-26-46)34(48)18-12-28-9-15-30(16-10-28)36(41)42/h7-10,13-16,31-32H,1-6,11-12,17-26H2,(H3,39,40)(H3,41,42)/t31-,32+
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0.400n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Evaluated for its inhibitory potency against tryptase


Bioorg Med Chem Lett 10: 2361-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50093154
PNG
(CHEMBL448786 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(=N)c1ccc(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C38H52N8O6/c39-35(40)29-13-7-27(8-14-29)11-17-33(47)43-19-23-45(24-20-43)37(49)51-31-3-1-4-32(6-2-5-31)52-38(50)46-25-21-44(22-26-46)34(48)18-12-28-9-15-30(16-10-28)36(41)42/h7-10,13-16,31-32H,1-6,11-12,17-26H2,(H3,39,40)(H3,41,42)/t31-,32+
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2.10E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against trypsin


Bioorg Med Chem Lett 10: 2361-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50093154
PNG
(CHEMBL448786 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(=N)c1ccc(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C38H52N8O6/c39-35(40)29-13-7-27(8-14-29)11-17-33(47)43-19-23-45(24-20-43)37(49)51-31-3-1-4-32(6-2-5-31)52-38(50)46-25-21-44(22-26-46)34(48)18-12-28-9-15-30(16-10-28)36(41)42/h7-10,13-16,31-32H,1-6,11-12,17-26H2,(H3,39,40)(H3,41,42)/t31-,32+
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2.90E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against thrombin


Bioorg Med Chem Lett 10: 2361-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093154
PNG
(CHEMBL448786 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(=N)c1ccc(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C38H52N8O6/c39-35(40)29-13-7-27(8-14-29)11-17-33(47)43-19-23-45(24-20-43)37(49)51-31-3-1-4-32(6-2-5-31)52-38(50)46-25-21-44(22-26-46)34(48)18-12-28-9-15-30(16-10-28)36(41)42/h7-10,13-16,31-32H,1-6,11-12,17-26H2,(H3,39,40)(H3,41,42)/t31-,32+
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6.60E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against plasmin


Bioorg Med Chem Lett 10: 2361-6 (2001)


BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair