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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50014451   
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))
BDBM50014451
PNG
((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3
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n/an/a 240n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1.


J Med Chem 33: 3050-5 (1990)


BindingDB Entry DOI: 10.7270/Q23N22CM
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50014451
PNG
((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3
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PC sid
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PubMed
n/an/a 240n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1.


J Med Chem 33: 3050-5 (1990)


BindingDB Entry DOI: 10.7270/Q23N22CM
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50014451
PNG
((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1.


J Med Chem 33: 3050-5 (1990)


BindingDB Entry DOI: 10.7270/Q23N22CM
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50014451
PNG
((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3
KEGG

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PC sid
UniChem

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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined


J Med Chem 33: 3050-5 (1990)


BindingDB Entry DOI: 10.7270/Q23N22CM
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50014451
PNG
((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3
KEGG

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PC cid
PC sid
UniChem

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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1.


J Med Chem 33: 3050-5 (1990)


BindingDB Entry DOI: 10.7270/Q23N22CM
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50014451
PNG
((+)-Pyridin-4-yl-acetic acid 2-isopropyl-5-methyl-...)
Show SMILES CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
Show InChI InChI=1S/C17H25NO2/c1-12(2)15-5-4-13(3)10-16(15)20-17(19)11-14-6-8-18-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17alpha-hydroxylase/17,20 lyase was determined


J Med Chem 33: 3050-5 (1990)


BindingDB Entry DOI: 10.7270/Q23N22CM
More data for this
Ligand-Target Pair