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PubMed code 3959033

Compile data set for download or QSAR
Found 7 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


(Homo sapiens (Human))		BDBM50405353
PNG
(CHEMBL346234)
Show SMILES CC12CCC3C(CCC4=C(Sc5ccc(N)cc5)C(=O)CCC34C)C1CCC2=O |c:8|
Show InChI InChI=1S/C25H31NO2S/c1-24-14-12-21(27)23(29-16-5-3-15(26)4-6-16)20(24)8-7-17-18-9-10-22(28)25(18,2)13-11-19(17)24/h3-6,17-19H,7-14,26H2,1-2H3
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 18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
Aromatase


(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 |c:8|
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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 36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50405354
PNG
(CHEMBL154104)
Show SMILES CCSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:3|
Show InChI InChI=1S/C21H30O2S/c1-4-24-19-16-6-5-13-14-7-8-18(23)21(14,3)11-9-15(13)20(16,2)12-10-17(19)22/h13-15H,4-12H2,1-3H3
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 41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50240798
PNG
((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14?,18+,19-/m0/s1
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 54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50005871
PNG
(10,13-Dimethyl-4-methylsulfanyl-1,6,7,8,9,10,11,12...)
Show SMILES CSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:2|
Show InChI InChI=1S/C20H28O2S/c1-19-11-9-16(21)18(23-3)15(19)5-4-12-13-6-7-17(22)20(13,2)10-8-14(12)19/h12-14H,4-11H2,1-3H3/t12?,13?,14?,19-,20+/m1/s1
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 59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50405356
PNG
(CHEMBL154918)
Show SMILES CCCSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:4|
Show InChI InChI=1S/C22H32O2S/c1-4-13-25-20-17-6-5-14-15-7-8-19(24)22(15,3)11-9-16(14)21(17,2)12-10-18(20)23/h14-16H,4-13H2,1-3H3
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 65n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50405355
PNG
(CHEMBL152237)
Show SMILES CC(=O)SC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:4|
Show InChI InChI=1S/C21H28O3S/c1-12(22)25-19-16-5-4-13-14-6-7-18(24)21(14,3)10-8-15(13)20(16,2)11-9-17(19)23/h13-15H,4-11H2,1-3H3
PDB
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 73n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation

J Med Chem 29: 582-4 (1986)


BindingDB Entry DOI: 10.7270/Q2VM4DFW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%