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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 51(CYP51)' and Ligand = 'BDBM25806'   
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
Cytochrome P450 51(CYP51)


(Mycobacterium tuberculosis)
BDBM25806
PNG
((13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^...)
Show SMILES C[C@]12CCC3C(CCc4cc(O)ccc34)C1C[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14?,15?,16-,17+,18+/m1/s1
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PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 1.00E+5n/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)