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BDBM50311131 (2'R,4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,5',5',6a-pentamethylhexadecahydrospiro[indeno[5,4-f]quinoline-7,2'-pyran]-2,6'(1H,3'H)-dione::CHEMBL1078003

SMILES: CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O

InChI Key: InChIKey=LFEBTWSCLAPHNR-ADUFETQJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50311131   
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-keto-steroid reductase


(Homo sapiens)
BDBM50311131
PNG
((2'R,4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,5',5',6a-penta...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C25H39NO3/c1-22(2)14-15-25(29-21(22)28)13-9-18-16-6-7-19-23(3,11-10-20(27)26(19)5)17(16)8-12-24(18,25)4/h16-19H,6-15H2,1-5H3/t16-,17+,18+,19-,23-,24+,25-/m1/s1
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Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/a



CHUQ (CHUL) Research Center and Laval University

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs


J Med Chem 52: 7488-502 (2009)


Article DOI: 10.1021/jm900921c
BindingDB Entry DOI: 10.7270/Q2KK9BXD
More data for this
Ligand-Target Pair