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3 similar compounds to monomer 50307915

Wt: 310.7
BDBM50307901
Wt: 310.7
BDBM50307904
Wt: 310.7
BDBM50307913

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50307901,50307904,50307913   
Target
(Institution)
LigandTarget
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))
BDBM50307901
PNG
(5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hyd...)
Show SMILES Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
Show InChI InChI=1S/C16H11ClN4O/c17-15-6-12(3-4-16(15)22)14-5-11(1-2-13(14)7-18)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2
PDB
MMDB

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Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of aromatse in human JEG3 cells by scintillation spectrometry


J Med Chem 53: 2155-70 (2010)

More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50307901
PNG
(5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hyd...)
Show SMILES Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
Show InChI InChI=1S/C16H11ClN4O/c17-15-6-12(3-4-16(15)22)14-5-11(1-2-13(14)7-18)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 0.150n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) expressed in JEG-3 cells


J Med Chem 58: 7634-58 (2015)

More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50307913
PNG
(4-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hyd...)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(Cn2cncn2)cc1C#N
Show InChI InChI=1S/C16H11ClN4O/c17-15-6-12(2-4-16(15)22)14-3-1-11(5-13(14)7-18)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of aromatse in human JEG3 cells by scintillation spectrometry


J Med Chem 53: 2155-70 (2010)

More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50307904
PNG
(3-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hyd...)
Show SMILES Oc1ccc(cc1Cl)-c1ccc(C#N)c(Cn2cncn2)c1
Show InChI InChI=1S/C16H11ClN4O/c17-15-6-12(3-4-16(15)22)11-1-2-13(7-18)14(5-11)8-21-10-19-9-20-21/h1-6,9-10,22H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of aromatse in human JEG3 cells by scintillation spectrometry


J Med Chem 53: 2155-70 (2010)

More data for this
Ligand-Target Pair