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Compile Data Set for Download or QSAR

Found 3 hits of kd for monomerid = 25810   
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
Sterol 14-alpha demethylase


(Trypanosoma cruzi)
BDBM25810
PNG
(2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...)
Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1
Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)
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KEGG

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PC sid
PDB
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Article
PubMed
n/an/an/a 440n/an/an/a7.424



Vanderbilt University



Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...


J Med Chem 52: 2846-53 (2009)


Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
BDBM25810
PNG
(2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...)
Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1
Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)
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KEGG

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PDB
Article
PubMed
n/an/an/a 5.00E+3n/an/an/a7.537



University of California at San Francisco



Assay Description
The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...


Antimicrob Agents Chemother 51: 3915-23 (2007)


Article DOI: 10.1128/AAC.00311-07
BindingDB Entry DOI: 10.7270/Q20V8B3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol 14-alpha demethylase [F78L]


(Mycobacterium tuberculosis)
BDBM25810
PNG
(2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...)
Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1
Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.95E+4n/an/an/a7.537



University of California at San Francisco



Assay Description
The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...


Antimicrob Agents Chemother 51: 3915-23 (2007)


Article DOI: 10.1128/AAC.00311-07
BindingDB Entry DOI: 10.7270/Q20V8B3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)