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BDBM50406617 CHEMBL276388

SMILES: C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3

InChI Key: InChIKey=WBHVVSCLCCZPGX-IDWFKPAHSA-N

Data: 1 KI

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Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406617   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406617
PNG
(CHEMBL276388)
Show SMILES C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
Show InChI InChI=1S/C27H46N2O/c1-17(7-10-23(28)29)18-11-15-27(6)20-8-9-21-24(2,3)22(30)13-14-25(21,4)19(20)12-16-26(18,27)5/h17-18,21-22,30H,7-16H2,1-6H3,(H3,28,29)/t17-,18?,21?,22+,25-,26-,27+/m1/s1
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PC sid
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Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase


J Med Chem 35: 100-6 (1992)


Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD
More data for this
Ligand-Target Pair