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PubMed code 17490876

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50025356
PNG
(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of steroid 5alpha reductase type 2 expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 3603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.049
BindingDB Entry DOI: 10.7270/Q2P84BKV
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50025356
PNG
(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 453n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of steroid 5alpha reductase type 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 3603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.049
BindingDB Entry DOI: 10.7270/Q2P84BKV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%