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BDBM9463 3-(1H-Imidazol-1-ylmethyl)-5H-indeno[1,2-c]pyridazin-5-one::CHEMBL387518::Indenodiazine deriv. 10

SMILES: O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12

InChI Key: InChIKey=GFPNFJWMHLRZIW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 9463   
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 19A1


(Homo sapiens (Human))
BDBM9463
PNG
(3-(1H-Imidazol-1-ylmethyl)-5H-indeno[1,2-c]pyridaz...)
Show SMILES O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
Show InChI InChI=1S/C15H10N4O/c20-15-12-4-2-1-3-11(12)14-13(15)7-10(17-18-14)8-19-6-5-16-9-19/h1-7,9H,8H2
PDB
MMDB

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B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.66E+4n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM9463
PNG
(3-(1H-Imidazol-1-ylmethyl)-5H-indeno[1,2-c]pyridaz...)
Show SMILES O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
Show InChI InChI=1S/C15H10N4O/c20-15-12-4-2-1-3-11(12)14-13(15)7-10(17-18-14)8-19-6-5-16-9-19/h1-7,9H,8H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.66E+4n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH


J Med Chem 52: 143-50 (2009)


Article DOI: 10.1021/jm800945c
BindingDB Entry DOI: 10.7270/Q2SQ9080
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM9463
PNG
(3-(1H-Imidazol-1-ylmethyl)-5H-indeno[1,2-c]pyridaz...)
Show SMILES O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
Show InChI InChI=1S/C15H10N4O/c20-15-12-4-2-1-3-11(12)14-13(15)7-10(17-18-14)8-19-6-5-16-9-19/h1-7,9H,8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



University of Bari



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...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair