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BDBM50360379 CHEMBL1933692

SMILES: O=C(C(Cn1ccnn1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=WWORACPMEHPZQP-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50360379   
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50360379
PNG
(CHEMBL1933692)
Show SMILES O=C(C(Cn1ccnn1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16H,13H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorome...


Bioorg Med Chem Lett 22: 718-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.039
BindingDB Entry DOI: 10.7270/Q2PV6KS2
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50360379
PNG
(CHEMBL1933692)
Show SMILES O=C(C(Cn1ccnn1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16H,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.37E+3n/an/an/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1


Bioorg Med Chem Lett 22: 718-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.039
BindingDB Entry DOI: 10.7270/Q2PV6KS2
More data for this
Ligand-Target Pair