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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50044524   
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 11B2, mitochondrial


(Homo sapiens (Human))
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 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 (unknown origin)


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
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 0.200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019871
PNG
(CHEMBL3287192 | US9745282, 51)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019886
PNG
(CHEMBL3287178 | US9745282, 28)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-7,10-12H,8-9H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
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 0.800n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50341460
PNG
(8-Pyridin-3-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1...)
Show SMILES O=C1CCc2cc(cc3CCN1c23)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c19-15-4-3-11-8-14(13-2-1-6-17-10-13)9-12-5-7-18(15)16(11)12/h1-2,6,8-10H,3-5,7H2
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n/an/a 1.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019872
PNG
(CHEMBL3287193)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H14N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-10H,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019867
PNG
(CHEMBL3287188 | US9745282, 58)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H16N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10H,6,8H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019887
PNG
(CHEMBL3287179 | US9745282, 29)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-2-20(23)22-10-9-15-11-14(7-8-19(15)22)18-13-21-12-16-5-3-4-6-17(16)18/h3-8,11-13H,2,9-10H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
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 2.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019895
PNG
(CHEMBL3287187 | US9745282, 57)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O/c1-15(24)23-10-9-18-11-17(7-8-21(18)23)20-12-19(13-22-14-20)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
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 6.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019873
PNG
(CHEMBL3287194)
Show SMILES CCC(=O)n1ccc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C17H16N2O/c1-3-17(20)19-9-7-14-10-13(4-5-16(14)19)15-11-18-8-6-12(15)2/h4-11H,3H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019868
PNG
(CHEMBL3287189)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C17H18N2O/c1-3-17(20)19-9-7-14-10-13(4-5-16(14)19)15-11-18-8-6-12(15)2/h4-6,8,10-11H,3,7,9H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019893
PNG
(CHEMBL3287185 | US9745282, 54)
Show SMILES COc1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C16H16N2O2/c1-11(19)18-6-5-13-7-12(3-4-16(13)18)14-8-15(20-2)10-17-9-14/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019869
PNG
(CHEMBL3287190 | US9745282, 50)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H12N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-10H,1H3
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n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019888
PNG
(CHEMBL3287180 | US9745282, 31)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019871
PNG
(CHEMBL3287192 | US9745282, 51)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
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n/an/a 34n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019892
PNG
(CHEMBL3287184 | US9745282, 55)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C(C)=O
Show InChI InChI=1S/C17H16N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019886
PNG
(CHEMBL3287178 | US9745282, 28)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-7,10-12H,8-9H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019894
PNG
(CHEMBL3287186 | US9745282, 56)
Show SMILES CC(O)c1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C17H18N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-11,20H,5-6H2,1-2H3
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n/an/a 55n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019874
PNG
(CHEMBL3287169)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019891
PNG
(CHEMBL3287183 | US9745282, 52)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(F)c1
Show InChI InChI=1S/C15H13FN2O/c1-10(19)18-5-4-12-6-11(2-3-15(12)18)13-7-14(16)9-17-8-13/h2-3,6-9H,4-5H2,1H3
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019872
PNG
(CHEMBL3287193)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H14N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-10H,1-2H3
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019870
PNG
(CHEMBL3287191)
Show SMILES CCC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-11H,2H2,1H3
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n/an/a 77n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019889
PNG
(CHEMBL3287181 | US9745282, 30)
Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H20N2O/c1-14(2)21(24)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-5-3-4-6-18(17)19/h3-8,11-14H,9-10H2,1-2H3
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n/an/a 152n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019895
PNG
(CHEMBL3287187 | US9745282, 57)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O/c1-15(24)23-10-9-18-11-17(7-8-21(18)23)20-12-19(13-22-14-20)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019875
PNG
(CHEMBL3287170 | US9745282, 21)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H16N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-6,8,10-11H,2,7,9H2,1H3
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n/an/a 228n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019868
PNG
(CHEMBL3287189)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C17H18N2O/c1-3-17(20)19-9-7-14-10-13(4-5-16(14)19)15-11-18-8-6-12(15)2/h4-6,8,10-11H,3,7,9H2,1-2H3
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n/an/a 302n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019867
PNG
(CHEMBL3287188 | US9745282, 58)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C16H16N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10H,6,8H2,1-2H3
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n/an/a 366n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019890
PNG
(CHEMBL3287182 | US9745282, 53)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C#N
Show InChI InChI=1S/C16H13N3O/c1-11(20)19-5-4-14-7-13(2-3-16(14)19)15-6-12(8-17)9-18-10-15/h2-3,6-7,9-10H,4-5H2,1H3
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n/an/a 426n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019873
PNG
(CHEMBL3287194)
Show SMILES CCC(=O)n1ccc2cc(ccc12)-c1cnccc1C
Show InChI InChI=1S/C17H16N2O/c1-3-17(20)19-9-7-14-10-13(4-5-16(14)19)15-11-18-8-6-12(15)2/h4-11H,3H2,1-2H3
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n/an/a 435n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019887
PNG
(CHEMBL3287179 | US9745282, 29)
Show SMILES CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-2-20(23)22-10-9-15-11-14(7-8-19(15)22)18-13-21-12-16-5-3-4-6-17(16)18/h3-8,11-13H,2,9-10H2,1H3
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n/an/a 516n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019883
PNG
(CHEMBL3286405)
Show SMILES COc1cccc(c1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
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n/an/a 607n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50341460
PNG
(8-Pyridin-3-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1...)
Show SMILES O=C1CCc2cc(cc3CCN1c23)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c19-15-4-3-11-8-14(13-2-1-6-17-10-13)9-12-5-7-18(15)16(11)12/h1-2,6,8-10H,3-5,7H2
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n/an/a 715n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019870
PNG
(CHEMBL3287191)
Show SMILES CCC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-2-16(19)18-9-7-13-10-12(5-6-15(13)18)14-4-3-8-17-11-14/h3-11H,2H2,1H3
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n/an/a 736n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019893
PNG
(CHEMBL3287185 | US9745282, 54)
Show SMILES COc1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C16H16N2O2/c1-11(19)18-6-5-13-7-12(3-4-16(13)18)14-8-15(20-2)10-17-9-14/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 803n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019876
PNG
(CHEMBL3287171 | US9745282, 23)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H16N2O/c20-17(12-3-4-12)19-9-7-14-10-13(5-6-16(14)19)15-2-1-8-18-11-15/h1-2,5-6,8,10-12H,3-4,7,9H2
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n/an/a 1.29E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019869
PNG
(CHEMBL3287190 | US9745282, 50)
Show SMILES CC(=O)n1ccc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H12N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-10H,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019876
PNG
(CHEMBL3287171 | US9745282, 23)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H16N2O/c20-17(12-3-4-12)19-9-7-14-10-13(5-6-16(14)19)15-2-1-8-18-11-15/h1-2,5-6,8,10-12H,3-4,7,9H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019882
PNG
(CHEMBL3287175 | US9745282, 25)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-7-4-15(5-8-19)21(24)23-12-10-17-13-16(6-9-20(17)23)18-3-2-11-22-14-18/h2-9,11,13-14H,10,12H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019885
PNG
(CHEMBL3287177 | US9745282, 26)
Show SMILES O=C(Cc1ccccc1)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O/c24-21(13-16-5-2-1-3-6-16)23-12-10-18-14-17(8-9-20(18)23)19-7-4-11-22-15-19/h1-9,11,14-15H,10,12-13H2
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n/an/a 1.52E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019883
PNG
(CHEMBL3286405)
Show SMILES COc1cccc(c1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019881
PNG
(CHEMBL3287174 | US9745282, 24)
Show SMILES Fc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C20H15FN2O/c21-18-6-3-14(4-7-18)20(24)23-11-9-16-12-15(5-8-19(16)23)17-2-1-10-22-13-17/h1-8,10,12-13H,9,11H2
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n/an/a 2.83E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019874
PNG
(CHEMBL3287169)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50019884
PNG
(CHEMBL3287176 | US9745282, 27)
Show SMILES O=C(N1CCc2cc(ccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H14N2OS/c21-18(17-4-2-10-22-17)20-9-7-14-11-13(5-6-16(14)20)15-3-1-8-19-12-15/h1-6,8,10-12H,7,9H2
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n/an/a 3.07E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019892
PNG
(CHEMBL3287184 | US9745282, 55)
Show SMILES CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C(C)=O
Show InChI InChI=1S/C17H16N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-10H,5-6H2,1-2H3
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n/an/a 3.13E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019888
PNG
(CHEMBL3287180 | US9745282, 31)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H18N2O/c24-21(14-5-6-14)23-10-9-16-11-15(7-8-20(16)23)19-13-22-12-17-3-1-2-4-18(17)19/h1-4,7-8,11-14H,5-6,9-10H2
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n/an/a 3.72E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019894
PNG
(CHEMBL3287186 | US9745282, 56)
Show SMILES CC(O)c1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
Show InChI InChI=1S/C17H18N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-11,20H,5-6H2,1-2H3
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n/an/a 3.76E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50019877
PNG
(CHEMBL3287172)
Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cccnc1
Show InChI InChI=1S/C17H18N2O/c1-12(2)17(20)19-9-7-14-10-13(5-6-16(14)19)15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate


J Med Chem 57: 5179-89 (2014)


Article DOI: 10.1021/jm500140c
BindingDB Entry DOI: 10.7270/Q20Z74VS
More data for this
Ligand-Target Pair
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