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BDBM50142154 CHEMBL174499::{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenylcarbamoyl]-benzyl}-trimethyl-ammonium

SMILES: C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=QQJRQLNVCYHBED-UHFFFAOYSA-O

Data: 1 KI  7 IC50

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 8 hits for monomerid = 50142154   
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))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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PubMed
1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a 0.800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a 130n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair