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Compile Data Set for Download or QSAR

Found 27 hits of ic50 for UniProtKB: P15539   
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, mitochondrial


(Mus musculus)
BDBM50238115
PNG
(CHEMBL4082403)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)(c1cncnc1Nc1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O3S/c1-30(28,29)26-8-6-12(7-9-26)17(27,18(20,21)22)15-10-23-11-24-16(15)25-14-4-2-13(19)3-5-14/h2-5,10-12,27H,6-9H2,1H3,(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238115
PNG
(CHEMBL4082403)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)(c1cncnc1Nc1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O3S/c1-30(28,29)26-8-6-12(7-9-26)17(27,18(20,21)22)15-10-23-11-24-16(15)25-14-4-2-13(19)3-5-14/h2-5,10-12,27H,6-9H2,1H3,(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238114
PNG
(CHEMBL4093575)
Show SMILES CC(C)C(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C20H27FN4O3S/c1-14(2)20(26,15-8-10-25(11-9-15)29(3,27)28)18-12-22-13-23-19(18)24-17-6-4-16(21)5-7-17/h4-7,12-15,26H,8-11H2,1-3H3,(H,22,23,24)
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n/an/a 21n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238115
PNG
(CHEMBL4082403)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)(c1cncnc1Nc1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O3S/c1-30(28,29)26-8-6-12(7-9-26)17(27,18(20,21)22)15-10-23-11-24-16(15)25-14-4-2-13(19)3-5-14/h2-5,10-12,27H,6-9H2,1H3,(H,23,24,25)
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n/an/a>100n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238103
PNG
(CHEMBL4070323)
Show SMILES CC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O3S/c1-18(24,13-7-9-23(10-8-13)27(2,25)26)16-11-20-12-21-17(16)22-15-5-3-14(19)4-6-15/h3-6,11-13,24H,7-10H2,1-2H3,(H,20,21,22)
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n/an/a 102n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238104
PNG
(CHEMBL4072871)
Show SMILES CCCCC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C21H29FN4O3S/c1-3-4-11-21(27,16-9-12-26(13-10-16)30(2,28)29)19-14-23-15-24-20(19)25-18-7-5-17(22)6-8-18/h5-8,14-16,27H,3-4,9-13H2,1-2H3,(H,23,24,25)
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n/an/a 170n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 190n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r|
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238110
PNG
(CHEMBL4088766)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Sc1ccc(F)cc1
Show InChI InChI=1S/C17H20FN3O3S2/c1-26(23,24)21-8-6-12(7-9-21)16(22)15-10-19-11-20-17(15)25-14-4-2-13(18)3-5-14/h2-5,10-12,16,22H,6-9H2,1H3
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n/an/a 257n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238105
PNG
(CHEMBL4099824)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C17H21FN4O3S/c1-26(24,25)22-8-6-12(7-9-22)16(23)15-10-19-11-20-17(15)21-14-4-2-13(18)3-5-14/h2-5,10-12,16,23H,6-9H2,1H3,(H,19,20,21)
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n/an/a 300n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238102
PNG
(CHEMBL4065476)
Show SMILES OC(c1ccccc1)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C17H14FN3O/c18-13-6-8-14(9-7-13)21-17-15(10-19-11-20-17)16(22)12-4-2-1-3-5-12/h1-11,16,22H,(H,19,20,21)
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n/an/a 440n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50125049
PNG
(CHEMBL3623830)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238109
PNG
(CHEMBL4091167)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O3S/c1-29(27,28)25-8-6-12(7-9-25)16(26)15-10-22-11-23-17(15)24-14-4-2-13(3-5-14)18(19,20)21/h2-5,10-12,16,26H,6-9H2,1H3,(H,22,23,24)
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n/an/a 798n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238101
PNG
(CHEMBL4104118)
Show SMILES CCCC(O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C14H16FN3O/c1-2-3-13(19)12-8-16-9-17-14(12)18-11-6-4-10(15)5-7-11/h4-9,13,19H,2-3H2,1H3,(H,16,17,18)
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n/an/a 911n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238106
PNG
(CHEMBL4072943)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1cccc(F)c1
Show InChI InChI=1S/C17H21FN4O3S/c1-26(24,25)22-7-5-12(6-8-22)16(23)15-10-19-11-20-17(15)21-14-4-2-3-13(18)9-14/h2-4,9-12,16,23H,5-8H2,1H3,(H,19,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238121
PNG
(CHEMBL4077051)
Show SMILES OC(C1CCNCC1)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C16H19FN4O/c17-12-1-3-13(4-2-12)21-16-14(9-19-10-20-16)15(22)11-5-7-18-8-6-11/h1-4,9-11,15,18,22H,5-8H2,(H,19,20,21)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238108
PNG
(CHEMBL4070230)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1ccc(cc1)C#N
Show InChI InChI=1S/C18H21N5O3S/c1-27(25,26)23-8-6-14(7-9-23)17(24)16-11-20-12-21-18(16)22-15-4-2-13(10-19)3-5-15/h2-5,11-12,14,17,24H,6-9H2,1H3,(H,20,21,22)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238111
PNG
(CHEMBL4060559)
Show SMILES CS(=O)(=O)N1CCC(O)(CC1)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C16H19FN4O3S/c1-25(23,24)21-8-6-16(22,7-9-21)14-10-18-11-19-15(14)20-13-4-2-12(17)3-5-13/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238119
PNG
(CHEMBL4075207)
Show SMILES CS(=O)(=O)N1CCC(C1)C(O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C16H19FN4O3S/c1-25(23,24)21-7-6-11(9-21)15(22)14-8-18-10-19-16(14)20-13-4-2-12(17)3-5-13/h2-5,8,10-11,15,22H,6-7,9H2,1H3,(H,18,19,20)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238116
PNG
(CHEMBL4079006)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1ccccc1
Show InChI InChI=1S/C17H22N4O3S/c1-25(23,24)21-9-7-13(8-10-21)16(22)15-11-18-12-19-17(15)20-14-5-3-2-4-6-14/h2-6,11-13,16,22H,7-10H2,1H3,(H,18,19,20)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238117
PNG
(CHEMBL4092081)
Show SMILES Cc1ccc(Nc2ncncc2C(O)C2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C18H24N4O3S/c1-13-3-5-15(6-4-13)21-18-16(11-19-12-20-18)17(23)14-7-9-22(10-8-14)26(2,24)25/h3-6,11-12,14,17,23H,7-10H2,1-2H3,(H,19,20,21)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50047262
PNG
((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...)
Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238123
PNG
(CHEMBL4061565)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1cccc2ccccc12
Show InChI InChI=1S/C21H24N4O3S/c1-29(27,28)25-11-9-16(10-12-25)20(26)18-13-22-14-23-21(18)24-19-8-4-6-15-5-2-3-7-17(15)19/h2-8,13-14,16,20,26H,9-12H2,1H3,(H,22,23,24)
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n/an/a 2.74E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238112
PNG
(CHEMBL4101118)
Show SMILES CS(=O)(=O)N1CCC(CC(O)c2cncnc2Nc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H23FN4O3S/c1-27(25,26)23-8-6-13(7-9-23)10-17(24)16-11-20-12-21-18(16)22-15-4-2-14(19)3-5-15/h2-5,11-13,17,24H,6-10H2,1H3,(H,20,21,22)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238113
PNG
(CHEMBL4067686)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(=O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C17H19FN4O3S/c1-26(24,25)22-8-6-12(7-9-22)16(23)15-10-19-11-20-17(15)21-14-4-2-13(18)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,19,20,21)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238107
PNG
(CHEMBL4064367)
Show SMILES COc1ccc(Nc2ncncc2C(O)C2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C18H24N4O4S/c1-26-15-5-3-14(4-6-15)21-18-16(11-19-12-20-18)17(23)13-7-9-22(10-8-13)27(2,24)25/h3-6,11-13,17,23H,7-10H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50125050
PNG
(CHEMBL3623831)
Show SMILES CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...


J Med Chem 58: 8054-65 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00851
BindingDB Entry DOI: 10.7270/Q2K0763C
More data for this
Ligand-Target Pair