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1 similar compounds to monomer 50031892

Compile data set for download or QSAR
Wt: 477.6
BDBM50340466

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340466   
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
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase


(Mycobacterium tuberculosis)
BDBM50340466
PNG
((8S,9R,10S,13R,14R,17R)-17-(3-(4-cyclohexylphenyl)...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1/C29H39N3O3/c1-28-12-10-24-22(18-30-26-17-21(33)9-11-29(24,26)2)23(28)7-8-25(28)27(34)31-19-3-5-20(6-4-19)32-13-15-35-16-14-32/h3-6,22-25H,7-18H2,1-2H3,(H,31,34)/t22-,23-,24-,25+,28-,29+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase


Bioorg Med Chem Lett 21: 2216-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.004
BindingDB Entry DOI: 10.7270/Q2Z31ZXD
More data for this
Ligand-Target Pair