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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50010753   
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))
BDBM50541792
PNG
(CHEMBL4635011)
Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H22ClN5O3/c1-23(2)20-6-15(24)4-5-19(20)22(31)29(23)16-7-17(10-25-9-16)32-18-12-28(13-18)21(30)14-8-26-27(3)11-14/h4-11,18H,12-13H2,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541786
PNG
(CHEMBL4647543)
Show SMILES CCS(=O)(=O)N1CC(C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H22ClN3O4S/c1-4-29(26,27)23-11-16(12-23)28-15-8-14(9-22-10-15)24-19(25)17-6-5-13(21)7-18(17)20(24,2)3/h5-10,16H,4,11-12H2,1-3H3
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n/an/a<1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in HEK293 cell assessed as reduction in aldosterone by LC/MS-MS method


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541786
PNG
(CHEMBL4647543)
Show SMILES CCS(=O)(=O)N1CC(C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H22ClN3O4S/c1-4-29(26,27)23-11-16(12-23)28-15-8-14(9-22-10-15)24-19(25)17-6-5-13(21)7-18(17)20(24,2)3/h5-10,16H,4,11-12H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in HEK293 cell assessed as reduction in 18-hyroxycorticosterone by LC/MS-MS method


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM279728
PNG
(5-Chloro-3,3-dimethyl-2-[5-[2-(1-methylpyrazole-4-...)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)21-6-17(26)4-5-20(21)23(34)32(24)19-7-18(9-27-10-19)30-12-25(13-30)14-31(15-25)22(33)16-8-28-29(3)11-16/h4-11H,12-15H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541785
PNG
(CHEMBL4635517)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23ClN4O3S/c1-20(2)18-10-14(21)4-5-17(18)19(26)25(20)16-11-15(12-22-13-16)23-6-8-24(9-7-23)29(3,27)28/h4-5,10-13H,6-9H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541783
PNG
(CHEMBL4642895)
Show SMILES CCS(=O)(=O)N1CCC(CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H26ClN3O3S/c1-4-30(28,29)25-9-7-15(8-10-25)16-11-18(14-24-13-16)26-21(27)19-6-5-17(23)12-20(19)22(26,2)3/h5-6,11-15H,4,7-10H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541791
PNG
(CHEMBL4642138)
Show SMILES Cc1ccncc1C(=O)N1CC(C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H23ClN4O3/c1-15-6-7-27-12-21(15)23(31)29-13-19(14-29)33-18-9-17(10-28-11-18)30-24(32)20-5-4-16(26)8-22(20)25(30,2)3/h4-12,19H,13-14H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541786
PNG
(CHEMBL4647543)
Show SMILES CCS(=O)(=O)N1CC(C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C20H22ClN3O4S/c1-4-29(26,27)23-11-16(12-23)28-15-8-14(9-22-10-15)24-19(25)17-6-5-13(21)7-18(17)20(24,2)3/h5-10,16H,4,11-12H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541764
PNG
(CHEMBL4645158)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(C)=O |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-11-16-8-13(21)6-7-15(16)20(26)24(11)19-10-22-9-17-14(19)4-3-5-18(17)23-12(2)25/h6-11,18H,3-5H2,1-2H3,(H,23,25)/t11-,18+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541789
PNG
(CHEMBL4646980)
Show SMILES CC(=O)N1CCC(CC1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H24ClN3O3/c1-14(27)25-8-6-17(7-9-25)29-18-11-16(12-24-13-18)26-21(28)19-5-4-15(23)10-20(19)22(26,2)3/h4-5,10-13,17H,6-9H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541782
PNG
(CHEMBL4644311)
Show SMILES CC(=O)N1CCC(CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H24ClN3O2/c1-14(27)25-8-6-15(7-9-25)16-10-18(13-24-12-16)26-21(28)19-5-4-17(23)11-20(19)22(26,2)3/h4-5,10-13,15H,6-9H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541790
PNG
(CHEMBL4632945)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(OC2CN(C2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2)19-8-14(25)5-6-18(19)22(31)30(24)15-9-16(11-27-10-15)33-17-12-29(13-17)23(32)21-20(26)4-3-7-28-21/h3-11,17H,12-13H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541768
PNG
(CHEMBL4647877)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2N1[C@@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C21H22ClN3O2/c1-3-20(26)24-18-6-4-5-14-17(18)10-23-11-19(14)25-12(2)16-9-13(22)7-8-15(16)21(25)27/h7-12,18H,3-6H2,1-2H3,(H,24,26)/t12-,18+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541788
PNG
(CHEMBL4638889)
Show SMILES CC(=O)N1CC[C@@H](C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |r|
Show InChI InChI=1S/C21H22ClN3O3/c1-13(26)24-7-6-16(12-24)28-17-9-15(10-23-11-17)25-20(27)18-5-4-14(22)8-19(18)21(25,2)3/h4-5,8-11,16H,6-7,12H2,1-3H3/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541765
PNG
(CHEMBL4639314)
Show SMILES CC[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(C)=O |r|
Show InChI InChI=1S/C21H22ClN3O2/c1-3-19-16-9-13(22)7-8-15(16)21(27)25(19)20-11-23-10-17-14(20)5-4-6-18(17)24-12(2)26/h7-11,18-19H,3-6H2,1-2H3,(H,24,26)/t18-,19-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541779
PNG
(CHEMBL4632486)
Show SMILES C[C@@H](NS(C)(=O)=O)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |r|
Show InChI InChI=1S/C18H20ClN3O3S/c1-11(21-26(4,24)25)12-7-14(10-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-11,21H,1-4H3/t11-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541781
PNG
(CHEMBL4643528)
Show SMILES Cc1cccnc1C(=O)NCc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C23H21ClN4O2/c1-14-5-4-8-26-20(14)21(29)27-12-15-9-17(13-25-11-15)28-22(30)18-7-6-16(24)10-19(18)23(28,2)3/h4-11,13H,12H2,1-3H3,(H,27,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541784
PNG
(CHEMBL4634550)
Show SMILES CC(=O)N1CCN(CC1)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C21H23ClN4O2/c1-14(27)24-6-8-25(9-7-24)16-11-17(13-23-12-16)26-20(28)18-5-4-15(22)10-19(18)21(26,2)3/h4-5,10-13H,6-9H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541787
PNG
(CHEMBL4634463)
Show SMILES CC(=O)N1CC[C@H](C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C |r|
Show InChI InChI=1S/C21H22ClN3O3/c1-13(26)24-7-6-16(12-24)28-17-9-15(10-23-11-17)25-20(27)18-5-4-14(22)8-19(18)21(25,2)3/h4-5,8-11,16H,6-7,12H2,1-3H3/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541770
PNG
(CHEMBL4640951)
Show SMILES CC[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(=O)CC |r|
Show InChI InChI=1S/C22H24ClN3O2/c1-3-19-16-10-13(23)8-9-15(16)22(28)26(19)20-12-24-11-17-14(20)6-5-7-18(17)25-21(27)4-2/h8-12,18-19H,3-7H2,1-2H3,(H,25,27)/t18-,19+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM279736
PNG
(US10035804, Example 7)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H26ClN5O2/c1-17-6-7-29-12-22(17)24(34)32-15-27(16-32)13-31(14-27)19-9-20(11-30-10-19)33-25(35)21-5-4-18(28)8-23(21)26(33,2)3/h4-12H,13-16H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541794
PNG
(CHEMBL4640361)
Show SMILES CCS(=O)(=O)N1CC2(CN(C2)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C22H25ClN4O3S/c1-4-31(29,30)26-13-22(14-26)11-25(12-22)16-8-17(10-24-9-16)27-20(28)18-6-5-15(23)7-19(18)21(27,2)3/h5-10H,4,11-14H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541793
PNG
(CHEMBL4638415)
Show SMILES CC(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C22H23ClN4O2/c1-14(28)25-10-22(11-25)12-26(13-22)16-7-17(9-24-8-16)27-20(29)18-5-4-15(23)6-19(18)21(27,2)3/h4-9H,10-13H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541760
PNG
(CHEMBL4642777)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-2-19(25)23-17-5-3-4-15-16(17)9-22-10-18(15)24-11-12-8-13(21)6-7-14(12)20(24)26/h6-10,17H,2-5,11H2,1H3,(H,23,25)/t17-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541778
PNG
(CHEMBL4645918)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H18ClN3O3S/c1-17(2)15-7-12(18)4-5-14(15)16(22)21(17)13-6-11(8-19-10-13)9-20-25(3,23)24/h4-8,10,20H,9H2,1-3H3
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541762
PNG
(CHEMBL4645224)
Show SMILES CCS(=O)(=O)N[C@@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H20ClN3O3S/c1-2-27(25,26)22-17-5-3-4-15-16(17)9-21-10-18(15)23-11-12-8-13(20)6-7-14(12)19(23)24/h6-10,17,22H,2-5,11H2,1H3/t17-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541759
PNG
(CHEMBL4642814)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H18ClN3O2/c1-11(24)22-17-4-2-3-15-16(17)8-21-9-18(15)23-10-12-7-13(20)5-6-14(12)19(23)25/h5-9,17H,2-4,10H2,1H3,(H,22,24)/t17-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541773
PNG
(CHEMBL4636239)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2N1CCc2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-12(25)23-18-4-2-3-16-17(18)10-22-11-19(16)24-8-7-13-9-14(21)5-6-15(13)20(24)26/h5-6,9-11,18H,2-4,7-8H2,1H3,(H,23,25)/t18-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541776
PNG
(CHEMBL4639262)
Show SMILES CC(=O)NCc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C18H18ClN3O2/c1-11(23)21-9-12-6-14(10-20-8-12)22-17(24)15-5-4-13(19)7-16(15)18(22,2)3/h4-8,10H,9H2,1-3H3,(H,21,23)
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n/an/a 59n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541750
PNG
(CHEMBL4635349)
Show SMILES Clc1ccc2C(=O)N(CCc2c1)c1cccnc1
Show InChI InChI=1S/C14H11ClN2O/c15-11-3-4-13-10(8-11)5-7-17(14(13)18)12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2
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n/an/a 61n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541767
PNG
(CHEMBL4644978)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2N1[C@H](C)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C21H22ClN3O2/c1-3-20(26)24-18-6-4-5-14-17(18)10-23-11-19(14)25-12(2)16-9-13(22)7-8-15(16)21(25)27/h7-12,18H,3-6H2,1-2H3,(H,24,26)/t12-,18-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541775
PNG
(CHEMBL4649630)
Show SMILES CS(=O)(=O)N[C@@H]1CCCc2c1cncc2N1CCc2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C19H20ClN3O3S/c1-27(25,26)22-17-4-2-3-15-16(17)10-21-11-18(15)23-8-7-12-9-13(20)5-6-14(12)19(23)24/h5-6,9-11,17,22H,2-4,7-8H2,1H3/t17-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50541764
PNG
(CHEMBL4645158)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(C)=O |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-11-16-8-13(21)6-7-15(16)20(26)24(11)19-10-22-9-17-14(19)4-3-5-18(17)23-12(2)25/h6-11,18H,3-5H2,1-2H3,(H,23,25)/t11-,18+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycortisol as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541769
PNG
(CHEMBL4646307)
Show SMILES CC[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(=O)CC |r|
Show InChI InChI=1S/C22H24ClN3O2/c1-3-19-16-10-13(23)8-9-15(16)22(28)26(19)20-12-24-11-17-14(20)6-5-7-18(17)25-21(27)4-2/h8-12,18-19H,3-7H2,1-2H3,(H,25,27)/t18-,19-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541780
PNG
(CHEMBL4638300)
Show SMILES CCS(=O)(=O)NCc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C18H20ClN3O3S/c1-4-26(24,25)21-10-12-7-14(11-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-9,11,21H,4,10H2,1-3H3
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n/an/a 92n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541766
PNG
(CHEMBL4633711)
Show SMILES CC[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(C)=O |r|
Show InChI InChI=1S/C21H22ClN3O2/c1-3-19-16-9-13(22)7-8-15(16)21(27)25(19)20-11-23-10-17-14(20)5-4-6-18(17)24-12(2)26/h7-11,18-19H,3-6H2,1-2H3,(H,24,26)/t18-,19+/m1/s1
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541771
PNG
(CHEMBL4638099)
Show SMILES CC(=O)N[C@@H]1CCCc2c1cncc2N1[C@H](C2CC2)c2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C22H22ClN3O2/c1-12(27)25-19-4-2-3-15-18(19)10-24-11-20(15)26-21(13-5-6-13)17-9-14(23)7-8-16(17)22(26)28/h7-11,13,19,21H,2-6H2,1H3,(H,25,27)/t19-,21-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541749
PNG
(CHEMBL4639620)
Show SMILES Fc1cc2C(=O)N(CCc2cc1Cl)c1cccnc1
Show InChI InChI=1S/C14H10ClFN2O/c15-12-6-9-3-5-18(10-2-1-4-17-8-10)14(19)11(9)7-13(12)16/h1-2,4,6-8H,3,5H2
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n/an/a 104n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541743
PNG
(CHEMBL4640325)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-15(2)13-8-10(16)5-6-12(13)14(19)18(15)11-4-3-7-17-9-11/h3-9H,1-2H3
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n/an/a 108n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541774
PNG
(CHEMBL4634553)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2N1CCc2cc(Cl)ccc2C1=O |r|
Show InChI InChI=1S/C21H22ClN3O2/c1-2-20(26)24-18-5-3-4-16-17(18)11-23-12-19(16)25-9-8-13-10-14(22)6-7-15(13)21(25)27/h6-7,10-12,18H,2-5,8-9H2,1H3,(H,24,26)/t18-/m1/s1
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n/an/a 119n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541742
PNG
(CHEMBL4638026)
Show SMILES Clc1ccc2C(=O)N(c3cccnc3)C3(CC3)c2c1
Show InChI InChI=1S/C15H11ClN2O/c16-10-3-4-12-13(8-10)15(5-6-15)18(14(12)19)11-2-1-7-17-9-11/h1-4,7-9H,5-6H2
PDB

UniProtKB/SwissProt

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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541744
PNG
(CHEMBL4636069)
Show SMILES CCC1N(C(=O)c2ccc(Cl)cc12)c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-2-14-13-8-10(16)5-6-12(13)15(19)18(14)11-4-3-7-17-9-11/h3-9,14H,2H2,1H3
PDB

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n/an/a 121n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541745
PNG
(CHEMBL4634229)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cccnc1
Show InChI InChI=1S/C14H11ClN2O/c1-9-13-7-10(15)4-5-12(13)14(18)17(9)11-3-2-6-16-8-11/h2-9H,1H3
PDB

UniProtKB/SwissProt

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n/an/a 123n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541763
PNG
(CHEMBL4637033)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc2[C@@H](CCCc12)NC(C)=O |r|
Show InChI InChI=1S/C20H20ClN3O2/c1-11-16-8-13(21)6-7-15(16)20(26)24(11)19-10-22-9-17-14(19)4-3-5-18(17)23-12(2)25/h6-11,18H,3-5H2,1-2H3,(H,23,25)/t11-,18-/m1/s1
PDB

UniProtKB/SwissProt

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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541741
PNG
(CHEMBL4644873)
Show SMILES Clc1ccc2C(=O)N(C(C3CC3)c2c1)c1cccnc1
Show InChI InChI=1S/C16H13ClN2O/c17-11-5-6-13-14(8-11)15(10-3-4-10)19(16(13)20)12-2-1-7-18-9-12/h1-2,5-10,15H,3-4H2
PDB

UniProtKB/SwissProt

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n/an/a 161n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541738
PNG
(CHEMBL4644373)
Show SMILES CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1
Show InChI InChI=1S/C15H13ClN2O/c1-10-9-18(12-3-2-6-17-8-12)15(19)13-5-4-11(16)7-14(10)13/h2-8,10H,9H2,1H3
PDB

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n/an/a 164n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541747
PNG
(CHEMBL4633083)
Show SMILES Clc1ccc2C(=O)N(Cc2c1)c1cccnc1
Show InChI InChI=1S/C13H9ClN2O/c14-10-3-4-12-9(6-10)8-16(13(12)17)11-2-1-5-15-7-11/h1-7H,8H2
PDB

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n/an/a 179n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50541740
PNG
(CHEMBL4634791)
Show SMILES Clc1ccc2C(=O)N(C(Cc3ccccc3)c2c1)c1cccnc1
Show InChI InChI=1S/C20H15ClN2O/c21-15-8-9-17-18(12-15)19(11-14-5-2-1-3-6-14)23(20(17)24)16-7-4-10-22-13-16/h1-10,12-13,19H,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 214n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycortisol as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541746
PNG
(CHEMBL4634126)
Show SMILES O=C1N(Cc2cc(ccc12)C#N)c1cccnc1
Show InChI InChI=1S/C14H9N3O/c15-7-10-3-4-13-11(6-10)9-17(14(13)18)12-2-1-5-16-8-12/h1-6,8H,9H2
PDB

UniProtKB/SwissProt

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n/an/a 232n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541754
PNG
(CHEMBL4648602)
Show SMILES Cc1cc(Cl)ccc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C13H11ClN2O/c1-9-7-10(14)4-5-12(9)13(17)16-11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

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n/an/a 277n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair
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