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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50011775'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aromatase


(Homo sapiens (Human))
BDBM50011775
PNG
(13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CO3)C1CCC2=O |t:8|
Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
75n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity was measured on Cytochrome P450 19A1


J Med Chem 33: 2933-42 (1990)


BindingDB Entry DOI: 10.7270/Q2VM4CW9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50011775
PNG
(13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CO3)C1CCC2=O |t:8|
Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
75n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental Cytochrome P450 19A1


J Med Chem 34: 1344-9 (1991)


BindingDB Entry DOI: 10.7270/Q2M044C9
More data for this
Ligand-Target Pair