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BDBM50407310 CHEMBL37880

SMILES: COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O

InChI Key: InChIKey=JMOOGCFXFNKYCS-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50407310   
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))
BDBM50407310
PNG
(CHEMBL37880)
Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
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PC cid
PC sid
UniChem
PubMed
30n/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))
BDBM50407310
PNG
(CHEMBL37880)
Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
460n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50407310
PNG
(CHEMBL37880)
Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



The University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate


Eur J Med Chem 84: 454-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.056
BindingDB Entry DOI: 10.7270/Q2057HM8
More data for this
Ligand-Target Pair