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BDBM50323751 CHEMBL609::N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE::N,N'-Bis-(2-amino-ethyl)-ethane-1,2-diamine::Syprine::TRIENTINE::triethylenetetramine

SMILES: NCCNCCNCCN

InChI Key: InChIKey=VILCJCGEZXAXTO-UHFFFAOYSA-N

Data: 13 KI

PDB links: 1 PDB ID matches 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 13 hits for monomerid = 50323751   
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
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
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PubMed
1.21E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
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PubMed
3.80E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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PubMed
3.90E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
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4.30E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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PubMed
4.80E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
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PubMed
4.90E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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PubMed
5.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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PubMed
5.70E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
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Article
PubMed
5.90E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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PubMed
6.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50323751
PNG
(CHEMBL609 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMI...)
Show SMILES NCCNCCNCCN
Show InChI InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
PDB
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Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair