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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50039260   
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
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))
BDBM50039260
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(piperazine-1-carb...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCNCC1 |t:7|
Show InChI InChI=1S/C23H35N3O2/c1-22-8-6-18-16(14-25-20-13-15(27)5-7-23(18,20)2)17(22)3-4-19(22)21(28)26-11-9-24-10-12-26/h16-19,24H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.60E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))
BDBM50039260
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(piperazine-1-carb...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCNCC1 |t:7|
Show InChI InChI=1S/C23H35N3O2/c1-22-8-6-18-16(14-25-20-13-15(27)5-7-23(18,20)2)17(22)3-4-19(22)21(28)26-11-9-24-10-12-26/h16-19,24H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.60E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair