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PubMed code 11063603

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50093310
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093310
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against Prothrombinase


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093302
PNG
(3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-9-7-10-19(2)29(18)15-5-6-16-30-22-13-3-4-14-23(22)32-24(26(30)31)20-11-8-12-21(17-20)25(27)28/h3-4,8,11-14,17-19,24H,5-7,9-10,15-16H2,1-2H3,(H3,27,28)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093306
PNG
(3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-o...)
Show SMILES CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-13-14-19(2)29(18)15-6-3-7-16-30-22-11-4-5-12-23(22)32-24(26(30)31)20-9-8-10-21(17-20)25(27)28/h4-5,8-12,17-19,24H,3,6-7,13-16H2,1-2H3,(H3,27,28)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093313
PNG
(3-[3-Oxo-4-(5-piperidin-1-yl-pentyl)-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCCCC2)C1=O
Show InChI InChI=1S/C25H32N4O2/c26-24(27)20-11-9-10-19(18-20)23-25(30)29(21-12-3-4-13-22(21)31-23)17-8-2-7-16-28-14-5-1-6-15-28/h3-4,9-13,18,23H,1-2,5-8,14-17H2,(H3,26,27)
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n/an/a 53n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093312
PNG
(3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)
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n/an/a 68n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093309
PNG
(3-[4-(5-Diisopropylamino-pentyl)-3-oxo-3,4-dihydro...)
Show SMILES CC(C)N(CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N)C(C)C
Show InChI InChI=1S/C26H36N4O2/c1-18(2)29(19(3)4)15-8-5-9-16-30-22-13-6-7-14-23(22)32-24(26(30)31)20-11-10-12-21(17-20)25(27)28/h6-7,10-14,17-19,24H,5,8-9,15-16H2,1-4H3,(H3,27,28)
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093299
PNG
(3-[4-(5-Morpholin-4-yl-pentyl)-3-oxo-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCOCC2)C1=O
Show InChI InChI=1S/C24H30N4O3/c25-23(26)19-8-6-7-18(17-19)22-24(29)28(20-9-2-3-10-21(20)31-22)12-5-1-4-11-27-13-15-30-16-14-27/h2-3,6-10,17,22H,1,4-5,11-16H2,(H3,25,26)
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n/an/a 240n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093302
PNG
(3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-9-7-10-19(2)29(18)15-5-6-16-30-22-13-3-4-14-23(22)32-24(26(30)31)20-11-8-12-21(17-20)25(27)28/h3-4,8,11-14,17-19,24H,5-7,9-10,15-16H2,1-2H3,(H3,27,28)
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093310
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)
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n/an/a 330n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093306
PNG
(3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-o...)
Show SMILES CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-13-14-19(2)29(18)15-6-3-7-16-30-22-11-4-5-12-23(22)32-24(26(30)31)20-9-8-10-21(17-20)25(27)28/h4-5,8-12,17-19,24H,3,6-7,13-16H2,1-2H3,(H3,27,28)
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n/an/a 760n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093308
PNG
(2-(3-Aminomethyl-phenyl)-4-[5-(2,6-dimethyl-piperi...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(CN)c1
Show InChI InChI=1S/C27H37N3O2/c1-20-10-8-11-21(2)29(20)16-6-3-7-17-30-24-14-4-5-15-25(24)32-26(27(30)31)23-13-9-12-22(18-23)19-28/h4-5,9,12-15,18,20-21,26H,3,6-8,10-11,16-17,19,28H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093310
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)
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n/an/a 890n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093306
PNG
(3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-o...)
Show SMILES CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-13-14-19(2)29(18)15-6-3-7-16-30-22-11-4-5-12-23(22)32-24(26(30)31)20-9-8-10-21(17-20)25(27)28/h4-5,8-12,17-19,24H,3,6-7,13-16H2,1-2H3,(H3,27,28)
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n/an/a 910n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093313
PNG
(3-[3-Oxo-4-(5-piperidin-1-yl-pentyl)-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCCCC2)C1=O
Show InChI InChI=1S/C25H32N4O2/c26-24(27)20-11-9-10-19(18-20)23-25(30)29(21-12-3-4-13-22(21)31-23)17-8-2-7-16-28-14-5-1-6-15-28/h3-4,9-13,18,23H,1-2,5-8,14-17H2,(H3,26,27)
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n/an/a 990n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093302
PNG
(3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-9-7-10-19(2)29(18)15-5-6-16-30-22-13-3-4-14-23(22)32-24(26(30)31)20-11-8-12-21(17-20)25(27)28/h3-4,8,11-14,17-19,24H,5-7,9-10,15-16H2,1-2H3,(H3,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093299
PNG
(3-[4-(5-Morpholin-4-yl-pentyl)-3-oxo-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCOCC2)C1=O
Show InChI InChI=1S/C24H30N4O3/c25-23(26)19-8-6-7-18(17-19)22-24(29)28(20-9-2-3-10-21(20)31-22)12-5-1-4-11-27-13-15-30-16-14-27/h2-3,6-10,17,22H,1,4-5,11-16H2,(H3,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093309
PNG
(3-[4-(5-Diisopropylamino-pentyl)-3-oxo-3,4-dihydro...)
Show SMILES CC(C)N(CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N)C(C)C
Show InChI InChI=1S/C26H36N4O2/c1-18(2)29(19(3)4)15-8-5-9-16-30-22-13-6-7-14-23(22)32-24(26(30)31)20-11-10-12-21(17-20)25(27)28/h6-7,10-14,17-19,24H,5,8-9,15-16H2,1-4H3,(H3,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093309
PNG
(3-[4-(5-Diisopropylamino-pentyl)-3-oxo-3,4-dihydro...)
Show SMILES CC(C)N(CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N)C(C)C
Show InChI InChI=1S/C26H36N4O2/c1-18(2)29(19(3)4)15-8-5-9-16-30-22-13-6-7-14-23(22)32-24(26(30)31)20-11-10-12-21(17-20)25(27)28/h6-7,10-14,17-19,24H,5,8-9,15-16H2,1-4H3,(H3,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093320
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=NN1CCOCC1 |w:32.36|
Show InChI InChI=1S/C31H43N5O3/c1-23-10-8-11-24(2)35(23)16-6-3-7-17-36-27-14-4-5-15-28(27)39-29(31(36)37)25-12-9-13-26(22-25)30(32)33-34-18-20-38-21-19-34/h4-5,9,12-15,22-24,29H,3,6-8,10-11,16-21H2,1-2H3,(H2,32,33)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093301
PNG
(3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...)
Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093318
PNG
(4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-9-8-10-20(2)30(19)17-6-3-7-18-31-23-11-4-5-12-24(23)33-25(27(31)32)21-13-15-22(16-14-21)26(28)29/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3,(H3,28,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093301
PNG
(3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...)
Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093312
PNG
(3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093299
PNG
(3-[4-(5-Morpholin-4-yl-pentyl)-3-oxo-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCOCC2)C1=O
Show InChI InChI=1S/C24H30N4O3/c25-23(26)19-8-6-7-18(17-19)22-24(29)28(20-9-2-3-10-21(20)31-22)12-5-1-4-11-27-13-15-30-16-14-27/h2-3,6-10,17,22H,1,4-5,11-16H2,(H3,25,26)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093301
PNG
(3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...)
Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against plasmin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093301
PNG
(3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...)
Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093311
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CNC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2C(C)CCCC2C)C1=O
Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30-3/h5-6,10,13-16,19-21,26H,4,7-9,11-12,17-18H2,1-3H3,(H2,29,30)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093313
PNG
(3-[3-Oxo-4-(5-piperidin-1-yl-pentyl)-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCCCC2)C1=O
Show InChI InChI=1S/C25H32N4O2/c26-24(27)20-11-9-10-19(18-20)23-25(30)29(21-12-3-4-13-22(21)31-23)17-8-2-7-16-28-14-5-1-6-15-28/h3-4,9-13,18,23H,1-2,5-8,14-17H2,(H3,26,27)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093317
PNG
(3-[4-(5-Amino-pentyl)-3-oxo-3,4-dihydro-2H-benzo[1...)
Show SMILES NCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C20H24N4O2/c21-11-4-1-5-12-24-16-9-2-3-10-17(16)26-18(20(24)25)14-7-6-8-15(13-14)19(22)23/h2-3,6-10,13,18H,1,4-5,11-12,21H2,(H3,22,23)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093314
PNG
(4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-2-(4-me...)
Show SMILES COc1ccc(cc1)C1Oc2ccccc2N(CCCCCN2C(C)CCCC2C)C1=O
Show InChI InChI=1S/C27H36N2O3/c1-20-10-9-11-21(2)28(20)18-7-4-8-19-29-24-12-5-6-13-25(24)32-26(27(29)30)22-14-16-23(31-3)17-15-22/h5-6,12-17,20-21,26H,4,7-11,18-19H2,1-3H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093312
PNG
(3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093319
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(=N)NO
Show InChI InChI=1S/C27H36N4O3/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)34-25(27(31)32)21-12-9-13-22(18-21)26(28)29-33/h4-5,9,12-15,18-20,25,33H,3,6-8,10-11,16-17H2,1-2H3,(H2,28,29)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093317
PNG
(3-[4-(5-Amino-pentyl)-3-oxo-3,4-dihydro-2H-benzo[1...)
Show SMILES NCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C20H24N4O2/c21-11-4-1-5-12-24-16-9-2-3-10-17(16)26-18(20(24)25)14-7-6-8-15(13-14)19(22)23/h2-3,6-10,13,18H,1,4-5,11-12,21H2,(H3,22,23)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093308
PNG
(2-(3-Aminomethyl-phenyl)-4-[5-(2,6-dimethyl-piperi...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(CN)c1
Show InChI InChI=1S/C27H37N3O2/c1-20-10-8-11-21(2)29(20)16-6-3-7-17-30-24-14-4-5-15-25(24)32-26(27(30)31)23-13-9-12-22(18-23)19-28/h4-5,9,12-15,18,20-21,26H,3,6-8,10-11,16-17,19,28H2,1-2H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093318
PNG
(4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-9-8-10-20(2)30(19)17-6-3-7-18-31-23-11-4-5-12-24(23)33-25(27(31)32)21-13-15-22(16-14-21)26(28)29/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3,(H3,28,29)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093310
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against plasmin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093312
PNG
(3-{4-[6-(2,6-Dimethyl-piperidin-1-yl)-hexyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C28H38N4O2/c1-20-11-9-12-21(2)31(20)17-7-3-4-8-18-32-24-15-5-6-16-25(24)34-26(28(32)33)22-13-10-14-23(19-22)27(29)30/h5-6,10,13-16,19-21,26H,3-4,7-9,11-12,17-18H2,1-2H3,(H3,29,30)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against plasmin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093318
PNG
(4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-9-8-10-20(2)30(19)17-6-3-7-18-31-23-11-4-5-12-24(23)33-25(27(31)32)21-13-15-22(16-14-21)26(28)29/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3,(H3,28,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093304
PNG
(2-(2-Chloro-phenyl)-4-[5-(2,6-dimethyl-piperidin-1...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H33ClN2O2/c1-19-11-10-12-20(2)28(19)17-8-3-9-18-29-23-15-6-7-16-24(23)31-25(26(29)30)21-13-4-5-14-22(21)27/h4-7,13-16,19-20,25H,3,8-12,17-18H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093303
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=S
Show InChI InChI=1S/C27H35N3O2S/c1-19-10-8-11-20(2)29(19)16-6-3-7-17-30-23-14-4-5-15-24(23)32-25(27(30)31)21-12-9-13-22(18-21)26(28)33/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H2,28,33)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093313
PNG
(3-[3-Oxo-4-(5-piperidin-1-yl-pentyl)-3,4-dihydro-2...)
Show SMILES NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCCCC2)C1=O
Show InChI InChI=1S/C25H32N4O2/c26-24(27)20-11-9-10-19(18-20)23-25(30)29(21-12-3-4-13-22(21)31-23)17-8-2-7-16-28-14-5-1-6-15-28/h3-4,9-13,18,23H,1-2,5-8,14-17H2,(H3,26,27)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against plasmin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093305
PNG
(2-(4-Chloro-phenyl)-4-[5-(2,6-dimethyl-piperidin-1...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN2O2/c1-19-9-8-10-20(2)28(19)17-6-3-7-18-29-23-11-4-5-12-24(23)31-25(26(29)30)21-13-15-22(27)16-14-21/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50093310
PNG
(3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against activated protein C


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093308
PNG
(2-(3-Aminomethyl-phenyl)-4-[5-(2,6-dimethyl-piperi...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(CN)c1
Show InChI InChI=1S/C27H37N3O2/c1-20-10-8-11-21(2)29(20)16-6-3-7-17-30-24-14-4-5-15-25(24)32-26(27(30)31)23-13-9-12-22(18-23)19-28/h4-5,9,12-15,18,20-21,26H,3,6-8,10-11,16-17,19,28H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against plasmin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093315
PNG
(2-(3,4-Dichloro-phenyl)-4-[5-(2,6-dimethyl-piperid...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H32Cl2N2O2/c1-18-9-8-10-19(2)29(18)15-6-3-7-16-30-23-11-4-5-12-24(23)32-25(26(30)31)20-13-14-21(27)22(28)17-20/h4-5,11-14,17-19,25H,3,6-10,15-16H2,1-2H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093300
PNG
(4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-2-pheny...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-20-12-11-13-21(2)27(20)18-9-4-10-19-28-23-16-7-8-17-24(23)30-25(26(28)29)22-14-5-3-6-15-22/h3,5-8,14-17,20-21,25H,4,9-13,18-19H2,1-2H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093316
PNG
(4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-2-p-tol...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C27H36N2O2/c1-20-14-16-23(17-15-20)26-27(30)29(24-12-5-6-13-25(24)31-26)19-8-4-7-18-28-21(2)10-9-11-22(28)3/h5-6,12-17,21-22,26H,4,7-11,18-19H2,1-3H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093307
PNG
(4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C27H35N3O2S/c1-19-9-8-10-20(2)29(19)17-6-3-7-18-30-23-11-4-5-12-24(23)32-25(27(30)31)21-13-15-22(16-14-21)26(28)33/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3,(H2,28,33)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093302
PNG
(3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...)
Show SMILES CC1CCCC(C)N1CCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H34N4O2/c1-18-9-7-10-19(2)29(18)15-5-6-16-30-22-13-3-4-14-23(22)32-24(26(30)31)20-11-8-12-21(17-20)25(27)28/h3-4,8,11-14,17-19,24H,5-7,9-10,15-16H2,1-2H3,(H3,27,28)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibitory activity against plasmin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093304
PNG
(2-(2-Chloro-phenyl)-4-[5-(2,6-dimethyl-piperidin-1...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H33ClN2O2/c1-19-11-10-12-20(2)28(19)17-8-3-9-18-29-23-15-6-7-16-24(23)31-25(26(29)30)21-13-4-5-14-22(21)27/h4-7,13-16,19-20,25H,3,8-12,17-18H2,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093304
PNG
(2-(2-Chloro-phenyl)-4-[5-(2,6-dimethyl-piperidin-1...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H33ClN2O2/c1-19-11-10-12-20(2)28(19)17-8-3-9-18-29-23-15-6-7-16-24(23)31-25(26(29)30)21-13-4-5-14-22(21)27/h4-7,13-16,19-20,25H,3,8-12,17-18H2,1-2H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093321
PNG
(4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...)
Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(=N)NO
Show InChI InChI=1S/C27H36N4O3/c1-19-9-8-10-20(2)30(19)17-6-3-7-18-31-23-11-4-5-12-24(23)34-25(27(31)32)21-13-15-22(16-14-21)26(28)29-33/h4-5,11-16,19-20,25,33H,3,6-10,17-18H2,1-2H3,(H2,28,29)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%