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BDBM8890 3-(5-Methoxy-1H-inden-2-yl)pyridine::indene 3

SMILES: COc1ccc2CC(=Cc2c1)c1cccnc1

InChI Key: InChIKey=KPJYOCDWGFDTFR-UHFFFAOYSA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 8890   
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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8890
PNG
(3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3)
Show SMILES COc1ccc2CC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.68E+3n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8890
PNG
(3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3)
Show SMILES COc1ccc2CC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
2.60n/a 4n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8890
PNG
(3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3)
Show SMILES COc1ccc2CC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of aromatase


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8890
PNG
(3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3)
Show SMILES COc1ccc2CC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/an/an/a



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8890
PNG
(3-(5-Methoxy-1H-inden-2-yl)pyridine | indene 3)
Show SMILES COc1ccc2CC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.60E+4n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from 3H-labeled androstenedione during aromatization. After incubation, the re...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
More data for this
Ligand-Target Pair