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BDBM50180152 (9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisphosphonate::CHEMBL200262::[(9-ethyl-9H-carbazol-3-ylamino)-phosphono-methyl]-phosphonic acid

SMILES: CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12

InChI Key: InChIKey=FOIJEVZWWJSXFM-UHFFFAOYSA-N

Data: 7 KI  3 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 10 hits for monomerid = 50180152   
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
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

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UniChem

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Article
PubMed
500n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

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UniChem

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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

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UniChem

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Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

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Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Hexokinase


(Trypanosoma cruzi)
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase


J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Plasmodium falciparum (isolate 3D7))
BDBM50180152
PNG
((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...)
Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12
Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
PDB

KEGG

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.00E+13n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against FPPS in Leishmania major


J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair