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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50238115   
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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
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)
PDB

KEGG

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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in HEK293A cells


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 11B1, mitochondrial


(Homo sapiens (Human))
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)
PDB

KEGG

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DrugBank
antibodypedia
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CHEMBL
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Article
PubMed
n/an/a 2n/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


(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 4n/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


(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in HEK293A cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition meas...


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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 11B1, mitochondrial


(Homo sapiens (Human))
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in HEK293A cells


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