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BDBM50407305 CHEMBL36772

SMILES: COc1cc2cc(C(O)=O)n(C)c2cc1OCc1ccccc1

InChI Key: InChIKey=TUAOKGTWHSOADI-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50407305   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50407305
PNG
(CHEMBL36772)
Show SMILES COc1cc2cc(C(O)=O)n(C)c2cc1OCc1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-19-14-10-17(23-11-12-6-4-3-5-7-12)16(22-2)9-13(14)8-15(19)18(20)21/h3-10H,11H2,1-2H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells


J Med Chem 38: 13-5 (1995)


BindingDB Entry DOI: 10.7270/Q2D50P5K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50407305
PNG
(CHEMBL36772)
Show SMILES COc1cc2cc(C(O)=O)n(C)c2cc1OCc1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-19-14-10-17(23-11-12-6-4-3-5-7-12)16(22-2)9-13(14)8-15(19)18(20)21/h3-10H,11H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
500n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells


J Med Chem 38: 13-5 (1995)


BindingDB Entry DOI: 10.7270/Q2D50P5K
More data for this
Ligand-Target Pair