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6 similar compounds to monomer 8891

Compile data set for download or QSAR
Wt: 237.2
BDBM8593
Wt: 237.2
BDBM8594
Wt: 237.2
BDBM8901
Wt: 301.3
BDBM50272370
Wt: 281.3
BDBM50272287
Wt: 251.3
BDBM50272195

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 8593,8594,8901,50272370,50272287,50272195   
Target/Host
(Institution)
LigandTarget/Host
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
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8901
PNG
(3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...)
Show SMILES COc1ccc2CCC(=Cc2c1)c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-4-5-13(9-15(12)10-16)14-3-2-8-17-11-14/h2-3,6-11H,4-5H2,1H3
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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


Pharmacol Rev 49: 2222-31 (2006)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2MW2FBS
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 4.31E+3n/an/an/an/an/an/a



University of Calcutta

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Eur J Med Chem 45: 4307-15 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.033
BindingDB Entry DOI: 10.7270/Q2MP53GH
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 790n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 34n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 26n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 4.31E+3n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 5.57E+3n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 5.57E+3n/an/an/an/an/an/a



University of Calcutta

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Eur J Med Chem 45: 4307-15 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.033
BindingDB Entry DOI: 10.7270/Q2MP53GH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8594
PNG
((3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C/c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9-
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n/an/a 5.57E+3n/an/an/an/an/an/a



University of Calcutta

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Eur J Med Chem 45: 4307-15 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.033
BindingDB Entry DOI: 10.7270/Q2MP53GH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 4.31E+3n/an/an/an/an/an/a



University of Calcutta

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Eur J Med Chem 45: 4307-15 (2010)


Article DOI: 10.1016/j.ejmech.2010.06.033
BindingDB Entry DOI: 10.7270/Q2MP53GH
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50272287
PNG
(3-Methoxy-5-(6-methoxy-3-methyl-3,4-dihydronaphtha...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc(OC)c1
Show InChI InChI=1S/C18H19NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-5,7-12H,6H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50272195
PNG
(3-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)p...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-7,9-12H,8H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50272287
PNG
(3-Methoxy-5-(6-methoxy-3-methyl-3,4-dihydronaphtha...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc(OC)c1
Show InChI InChI=1S/C18H19NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-5,7-12H,6H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50272370
PNG
(4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)i...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12
Show InChI InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50272370
PNG
(4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)i...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc2ccccc12
Show InChI InChI=1S/C21H19NO/c1-14-9-17-10-18(23-2)8-7-15(17)11-20(14)21-13-22-12-16-5-3-4-6-19(16)21/h3-8,10-14H,9H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM50272195
PNG
(3-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)p...)
Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cccnc1
Show InChI InChI=1S/C17H17NO/c1-12-8-15-9-16(19-2)6-5-13(15)10-17(12)14-4-3-7-18-11-14/h3-7,9-12H,8H2,1-2H3
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n/an/a 248n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (human))
BDBM8593
PNG
((3-Pyridylmethylene)indane 11a | 3-{[(1E)-5-methox...)
Show SMILES COc1ccc2\C(CCc2c1)=C\c1cccnc1
Show InChI InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
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n/an/a 1.45E+3n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 1563-75 (2005)


Article DOI: 10.1021/jm0492397
BindingDB Entry DOI: 10.7270/Q2SN075F
More data for this
Ligand-Target Pair