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BDBM8888 3-(1H-Inden-2-yl)pyridine::US9271963, 32::indene 1

SMILES: C1C(=Cc2ccccc12)c1cccnc1

InChI Key: InChIKey=NNEAKBWZBQOQDH-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 8888   
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 11B2, mitochondrial


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB

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UniChem
Article
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8.40n/a 13n/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
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB

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UniChem
n/an/a 13.5n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


US Patent US9271963 (2016)


BindingDB Entry DOI: 10.7270/Q2445KBN
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB

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UniChem
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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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB

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PC cid
PC sid
UniChem
n/an/a 862n/an/an/an/an/an/a



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


US Patent US9271963 (2016)


BindingDB Entry DOI: 10.7270/Q2445KBN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB

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UniChem
Article
PubMed
n/an/a 2.39E+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
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8888
PNG
(3-(1H-Inden-2-yl)pyridine | US9271963, 32 | indene...)
Show SMILES C1C(=Cc2ccccc12)c1cccnc1
Show InChI InChI=1S/C14H11N/c1-2-5-12-9-14(8-11(12)4-1)13-6-3-7-15-10-13/h1-8,10H,9H2
PDB
MMDB

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Article
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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