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1 similar compounds to monomer 50109750

Compile data set for download or QSAR
Wt: 421.5
BDBM50123012

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50123012   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50123012
PNG
(CHEMBL3623217)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Sc5ccccc5)C(=O)CC[C@]34C)[C@@H]1C[C@H](C#N)[C@@H]2O
Show InChI InChI=1S/C26H31NO2S/c1-25-13-11-22(28)23(30-17-6-4-3-5-7-17)20(25)9-8-18-19(25)10-12-26(2)21(18)14-16(15-27)24(26)29/h3-7,16,18-19,21,24,29H,8-14H2,1-2H3/t16-,18-,19+,21+,24+,25-,26+/m1/s1
PDB
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 169n/an/an/an/an/an/a



State University of New York Upstate Medical University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal aromatase using [1beta-3H] androstenedione as substrate assessed as tritiated H2O release after 5 mins by be...


J Med Chem 59: 5131-48 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01281
BindingDB Entry DOI: 10.7270/Q2TM7D2S
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50123012
PNG
(CHEMBL3623217)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Sc5ccccc5)C(=O)CC[C@]34C)[C@@H]1C[C@H](C#N)[C@@H]2O
Show InChI InChI=1S/C26H31NO2S/c1-25-13-11-22(28)23(30-17-6-4-3-5-7-17)20(25)9-8-18-19(25)10-12-26(2)21(18)14-16(15-27)24(26)29/h3-7,16,18-19,21,24,29H,8-14H2,1-2H3/t16-,18-,19+,21+,24+,25-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair