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BDBM50193850 2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dimethylcarbamimidoyl)benzamido)phenoxy)acetic acid::CHEMBL221231::{3-(5-chloro-pyridin-2-ylcarbamoyl)-4-[4-(N,N-dimethyl-carbamimidoyl)-benzoylamino]-phenoxy}-acetic acid

SMILES: CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=VCQUPPLFOBCIHW-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50193850   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193850
PNG
(2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dim...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193850
PNG
(2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dim...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193850
PNG
(2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dim...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5507-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.039
BindingDB Entry DOI: 10.7270/Q2SF2X05
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50193850
PNG
(2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dim...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair