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PubMed code 7562951

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 (CYP19)


(Homo sapiens (human))
BDBM50031436
PNG
(10,13-Dimethyl-4-phenylsulfanyl-1,6,7,8,9,10,11,12...)
Show SMILES CC12CCC3C(CCC4=C(Sc5ccccc5)C(=O)CCC34C)C1CCC2=O
Show InChI InChI=1S/C25H30O2S/c1-24-15-13-21(26)23(28-16-6-4-3-5-7-16)20(24)9-8-17-18-10-11-22(27)25(18,2)14-12-19(17)24/h3-7,17-19H,8-15H2,1-2H3
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PC cid
PC sid
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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 38: 4135-8 (1995)


Article DOI: 10.1021/jm00020a031
BindingDB Entry DOI: 10.7270/Q2WS8S8R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50031435
PNG
(10,13-Dimethyl-4-phenoxy-1,6,7,8,9,10,11,12,13,14,...)
Show SMILES CC12CCC3C(CCC4=C(Oc5ccccc5)C(=O)CCC34C)C1CCC2=O
Show InChI InChI=1S/C25H30O3/c1-24-15-13-21(26)23(28-16-6-4-3-5-7-16)20(24)9-8-17-18-10-11-22(27)25(18,2)14-12-19(17)24/h3-7,17-19H,8-15H2,1-2H3
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PubMed
n/an/a 530n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 38: 4135-8 (1995)


Article DOI: 10.1021/jm00020a031
BindingDB Entry DOI: 10.7270/Q2WS8S8R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50031437
PNG
((R)-10,13-Dimethyl-7-phenylsulfanyl-1,6,7,8,9,10,1...)
Show SMILES CC12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CCC31C)Sc1ccccc1
Show InChI InChI=1S/C25H30O2S/c1-24-12-10-17(26)14-16(24)15-21(28-18-6-4-3-5-7-18)23-19-8-9-22(27)25(19,2)13-11-20(23)24/h3-7,14,19-21,23H,8-13,15H2,1-2H3/t19?,20?,21-,23?,24?,25?/m1/s1
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PubMed
n/an/a 650n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 38: 4135-8 (1995)


Article DOI: 10.1021/jm00020a031
BindingDB Entry DOI: 10.7270/Q2WS8S8R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50031438
PNG
((R)-10,13-Dimethyl-4-phenoxy-7-phenylsulfanyl-1,6,...)
Show SMILES CC12CCC3C(C1CCC2=O)[C@@H](CC1=C(Oc2ccccc2)C(=O)CCC31C)Sc1ccccc1
Show InChI InChI=1S/C31H34O3S/c1-30-18-16-25(32)29(34-20-9-5-3-6-10-20)24(30)19-26(35-21-11-7-4-8-12-21)28-22-13-14-27(33)31(22,2)17-15-23(28)30/h3-12,22-23,26,28H,13-19H2,1-2H3/t22?,23?,26-,28?,30?,31?/m1/s1
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PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 38: 4135-8 (1995)


Article DOI: 10.1021/jm00020a031
BindingDB Entry DOI: 10.7270/Q2WS8S8R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%