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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5α-Reductase 1 (5α-R1)' and Ligand = 'BDBM50044885'   
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
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 41n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.


J Med Chem 36: 421-3 (1993)


BindingDB Entry DOI: 10.7270/Q2T43TQX
More data for this
Ligand-Target Pair