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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steroid 5-alpha-reductase' and Ligand = 'BDBM50025450'   
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


(Rattus norvegicus)
BDBM50025450
PNG
(CHEMBL1790294 | Sodium; 1,4a,6a-trimethyl-2-oxo-he...)
Show SMILES [Na+].CC([C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O
Show InChI InChI=1S/C22H35NO3.Na/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2;/h13-18H,5-12H2,1-4H3,(H,25,26);/q;+1/p-1/t13?,14-,15+,16-,17-,18?,21+,22+;/m0./s1
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025450
PNG
(CHEMBL1790294 | Sodium; 1,4a,6a-trimethyl-2-oxo-he...)
Show SMILES [Na+].CC([C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O
Show InChI InChI=1S/C22H35NO3.Na/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2;/h13-18H,5-12H2,1-4H3,(H,25,26);/q;+1/p-1/t13?,14-,15+,16-,17-,18?,21+,22+;/m0./s1
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair