BindingDB logo
myBDB logout

Patent code US9796702

Compile Data Set for Download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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 (CYP11B2)


(Homo sapiens (Human))
BDBM351260
PNG
(6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00800n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351279
PNG
(6-[4-[(2-Acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]...)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CC2(C1)CN(C2)C(C)=O
Show InChI InChI=1S/C22H25ClN4O2/c1-13(28)27-11-22(12-27)8-14(9-22)7-15-10-24-25-21(15)17-3-5-18-16(20(17)23)4-6-19(29)26(18)2/h3,5,10,14H,4,6-9,11-12H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0500n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351263
PNG
(CHEM-US-00074 | US9796702, 24 | US9796702, 26)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C
Show InChI InChI=1S/C24H27FN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.843n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351259
PNG
(5-Fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-car...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H27FN6O2/c1-29-14-17(13-27-29)24(33)31-9-7-15(8-10-31)11-16-12-26-28-23(16)19-3-5-20-18(22(19)25)4-6-21(32)30(20)2/h3,5,12-15H,4,6-11H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00200n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351259
PNG
(5-Fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-car...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H27FN6O2/c1-29-14-17(13-27-29)24(33)31-9-7-15(8-10-31)11-16-12-26-28-23(16)19-3-5-20-18(22(19)25)4-6-21(32)30(20)2/h3,5,12-15H,4,6-11H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.499n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351269
PNG
(CHEM-US-00080 | US9796702, 30)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccncc1Cl
Show InChI InChI=1S/C25H25Cl2N5O2/c1-31-21-4-2-19(23(27)18(21)3-5-22(31)33)24-16(13-29-30-24)12-15-7-10-32(11-8-15)25(34)17-6-9-28-14-20(17)26/h2,4,6,9,13-15H,3,5,7-8,10-12H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0190n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351269
PNG
(CHEM-US-00080 | US9796702, 30)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccncc1Cl
Show InChI InChI=1S/C25H25Cl2N5O2/c1-31-21-4-2-19(23(27)18(21)3-5-22(31)33)24-16(13-29-30-24)12-15-7-10-32(11-8-15)25(34)17-6-9-28-14-20(17)26/h2,4,6,9,13-15H,3,5,7-8,10-12H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.47n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351271
PNG
(CHEM-US-00082 | US9796702, 32)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1nccn1C
Show InChI InChI=1S/C24H28N6O2/c1-28-12-9-25-23(28)24(32)30-10-7-16(8-11-30)13-19-15-26-27-22(19)18-3-5-20-17(14-18)4-6-21(31)29(20)2/h3,5,9,12,14-16H,4,6-8,10-11,13H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0290n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351271
PNG
(CHEM-US-00082 | US9796702, 32)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1nccn1C
Show InChI InChI=1S/C24H28N6O2/c1-28-12-9-25-23(28)24(32)30-10-7-16(8-11-30)13-19-15-26-27-22(19)18-3-5-20-17(14-18)4-6-21(31)29(20)2/h3,5,9,12,14-16H,4,6-8,10-11,13H2,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.351n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351272
PNG
(CHEM-US-00083 | US9796702, 33)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cccnc1
Show InChI InChI=1S/C25H27N5O2/c1-29-22-6-4-19(14-18(22)5-7-23(29)31)24-21(16-27-28-24)13-17-8-11-30(12-9-17)25(32)20-3-2-10-26-15-20/h2-4,6,10,14-17H,5,7-9,11-13H2,1H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.30n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351273
PNG
(CHEM-US-00084 | US9796702, 34)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ncccc1Cl
Show InChI InChI=1S/C25H26ClN5O2/c1-30-21-6-4-18(14-17(21)5-7-22(30)32)23-19(15-28-29-23)13-16-8-11-31(12-9-16)25(33)24-20(26)3-2-10-27-24/h2-4,6,10,14-16H,5,7-9,11-13H2,1H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.547n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351276
PNG
((−)-6-[4-[(1S)-1-(1-Acetylpiperidin-4-yl)eth...)
Show SMILES C[C@@H](C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0640n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351278
PNG
(5-Chloro-6-[4-[(2-ethylsulfonyl-2-azaspiro[3.3]hep...)
Show SMILES CCS(=O)(=O)N1CC2(CC(Cc3c[nH]nc3-c3ccc4N(C)C(=O)CCc4c3Cl)C2)C1
Show InChI InChI=1S/C22H27ClN4O3S/c1-3-31(29,30)27-12-22(13-27)9-14(10-22)8-15-11-24-25-21(15)17-4-6-18-16(20(17)23)5-7-19(28)26(18)2/h4,6,11,14H,3,5,7-10,12-13H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00600n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351280
PNG
(5-Chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-car...)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CC2(C1)CN(C2)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C25H27ClN6O2/c1-30-12-17(11-28-30)24(34)32-13-25(14-32)8-15(9-25)7-16-10-27-29-23(16)19-3-5-20-18(22(19)26)4-6-21(33)31(20)2/h3,5,10-12,15H,4,6-9,13-14H2,1-2H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0380n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351018
PNG
(6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H26N4O2/c1-14(26)25-9-7-15(8-10-25)11-18-13-22-23-21(18)17-3-5-19-16(12-17)4-6-20(27)24(19)2/h3,5,12-13,15H,4,6-11H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0280n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351018
PNG
(6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H26N4O2/c1-14(26)25-9-7-15(8-10-25)11-18-13-22-23-21(18)17-3-5-19-16(12-17)4-6-20(27)24(19)2/h3,5,12-13,15H,4,6-11H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.266n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351261
PNG
(CHEM-US-00072 | US9796702, 22)
Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2F)CC1
Show InChI InChI=1S/C21H27FN4O3S/c1-3-30(28,29)26-10-8-14(9-11-26)12-15-13-23-24-21(15)17-4-6-18-16(20(17)22)5-7-19(27)25(18)2/h4,6,13-14H,3,5,7-12H2,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.133n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351267
PNG
(CHEM-US-00078 | US9796702, 28)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ncccc1Cl
Show InChI InChI=1S/C25H25Cl2N5O2/c1-31-20-6-4-18(22(27)17(20)5-7-21(31)33)23-16(14-29-30-23)13-15-8-11-32(12-9-15)25(34)24-19(26)3-2-10-28-24/h2-4,6,10,14-15H,5,7-9,11-13H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0280n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351268
PNG
(CHEM-US-00079 | US9796702, 29)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C
Show InChI InChI=1S/C24H27ClN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.31n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351273
PNG
(CHEM-US-00084 | US9796702, 34)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ncccc1Cl
Show InChI InChI=1S/C25H26ClN5O2/c1-30-21-6-4-18(14-17(21)5-7-22(30)32)23-19(15-28-29-23)13-16-8-11-31(12-9-16)25(33)24-20(26)3-2-10-27-24/h2-4,6,10,14-16H,5,7-9,11-13H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0150n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351274
PNG
((rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-py...)
Show SMILES CC(C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1cc2CCC(=O)N(C)c2cc1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-6-8-27(9-7-15)14(2)28)18-12-24-25-22(18)17-10-16-4-5-21(29)26(3)20(16)11-19(17)23/h10-13,15H,4-9H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0670n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351258
PNG
(6-[4-[(1-Acetylpiperidin-4-yl)methyl]-1H-pyrazol-3...)
Show SMILES CN1C(=O)CCc2cc(-c3n[nH]cc3CC3CCN(CC3)C(C)=O)c(F)cc12
Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-7-5-14(6-8-26)9-16-12-23-24-21(16)17-10-15-3-4-20(28)25(2)19(15)11-18(17)22/h10-12,14H,3-9H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0170n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351258
PNG
(6-[4-[(1-Acetylpiperidin-4-yl)methyl]-1H-pyrazol-3...)
Show SMILES CN1C(=O)CCc2cc(-c3n[nH]cc3CC3CCN(CC3)C(C)=O)c(F)cc12
Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-7-5-14(6-8-26)9-16-12-23-24-21(16)17-10-15-3-4-20(28)25(2)19(15)11-18(17)22/h10-12,14H,3-9H2,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.416n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351262
PNG
(CHEM-US-00073 | US9796702, 23)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)S(=O)(=O)c1ccnn1C
Show InChI InChI=1S/C23H27FN6O3S/c1-28-19-5-3-18(22(24)17(19)4-6-20(28)31)23-16(14-25-27-23)13-15-8-11-30(12-9-15)34(32,33)21-7-10-26-29(21)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.704n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351275
PNG
((rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-py...)
Show SMILES CC(C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00300n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351279
PNG
(6-[4-[(2-Acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]...)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CC2(C1)CN(C2)C(C)=O
Show InChI InChI=1S/C22H25ClN4O2/c1-13(28)27-11-22(12-27)8-14(9-22)7-15-10-24-25-21(15)17-3-5-18-16(20(17)23)4-6-19(29)26(18)2/h3,5,10,14H,4,6-9,11-12H2,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.47n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351201
PNG
(1-Methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)-4-...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H28N6O2/c1-28-15-20(14-26-28)24(32)30-9-7-16(8-10-30)11-19-13-25-27-23(19)18-3-5-21-17(12-18)4-6-22(31)29(21)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.20n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351257
PNG
(6-[4-[(1-Ethylsulfonyl-4-piperidyl)methyl]-1H-pyra...)
Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2)CC1
Show InChI InChI=1S/C21H28N4O3S/c1-3-29(27,28)25-10-8-15(9-11-25)12-18-14-22-23-21(18)17-4-6-19-16(13-17)5-7-20(26)24(19)2/h4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.216n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351263
PNG
(CHEM-US-00074 | US9796702, 24 | US9796702, 26)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C
Show InChI InChI=1S/C24H27FN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0760n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351270
PNG
(CHEM-US-00081 | US9796702, 31)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cncn1C
Show InChI InChI=1S/C24H28N6O2/c1-28-15-25-14-21(28)24(32)30-9-7-16(8-10-30)11-19-13-26-27-23(19)18-3-5-20-17(12-18)4-6-22(31)29(20)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.12n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351260
PNG
(6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.184n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351277
PNG
((+)-6-[4-[(1R)-1-(1-acetylpiperidin-4-yl)ethyl]-1H...)
Show SMILES C[C@H](C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0740n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351280
PNG
(5-Chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-car...)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CC2(C1)CN(C2)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C25H27ClN6O2/c1-30-12-17(11-28-30)24(34)32-13-25(14-32)8-15(9-25)7-16-10-27-29-23(16)19-3-5-20-18(22(19)26)4-6-21(33)31(20)2/h3,5,10-12,15H,4,6-9,13-14H2,1-2H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.29n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351259
PNG
(5-Fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-car...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H27FN6O2/c1-29-14-17(13-27-29)24(33)31-9-7-15(8-10-31)11-16-12-26-28-23(16)19-3-5-20-18(22(19)25)4-6-21(32)30(20)2/h3,5,12-15H,4,6-11H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00500n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351260
PNG
(6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0120n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351260
PNG
(6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-y...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H25FN4O2/c1-13(27)26-9-7-14(8-10-26)11-15-12-23-24-21(15)17-3-5-18-16(20(17)22)4-6-19(28)25(18)2/h3,5,12,14H,4,6-11H2,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.447n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351261
PNG
(CHEM-US-00072 | US9796702, 22)
Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2F)CC1
Show InChI InChI=1S/C21H27FN4O3S/c1-3-30(28,29)26-10-8-14(9-11-26)12-15-13-23-24-21(15)17-4-6-18-16(20(17)22)5-7-19(27)25(18)2/h4,6,13-14H,3,5,7-12H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00200n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351263
PNG
(CHEM-US-00074 | US9796702, 24 | US9796702, 26)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C
Show InChI InChI=1S/C24H27FN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00800n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351276
PNG
((−)-6-[4-[(1S)-1-(1-Acetylpiperidin-4-yl)eth...)
Show SMILES C[C@@H](C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.58n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351277
PNG
((+)-6-[4-[(1R)-1-(1-acetylpiperidin-4-yl)ethyl]-1H...)
Show SMILES C[C@H](C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0120n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351257
PNG
(6-[4-[(1-Ethylsulfonyl-4-piperidyl)methyl]-1H-pyra...)
Show SMILES CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3N(C)C(=O)CCc3c2)CC1
Show InChI InChI=1S/C21H28N4O3S/c1-3-29(27,28)25-10-8-15(9-11-25)12-18-14-22-23-21(18)17-4-6-19-16(13-17)5-7-20(26)24(19)2/h4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00500n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351262
PNG
(CHEM-US-00073 | US9796702, 23)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)S(=O)(=O)c1ccnn1C
Show InChI InChI=1S/C23H27FN6O3S/c1-28-19-5-3-18(22(24)17(19)4-6-20(28)31)23-16(14-25-27-23)13-15-8-11-30(12-9-15)34(32,33)21-7-10-26-29(21)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0140n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351268
PNG
(CHEM-US-00079 | US9796702, 29)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C
Show InChI InChI=1S/C24H27ClN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0160n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351270
PNG
(CHEM-US-00081 | US9796702, 31)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cncn1C
Show InChI InChI=1S/C24H28N6O2/c1-28-15-25-14-21(28)24(32)30-9-7-16(8-10-30)11-19-13-26-27-23(19)18-3-5-20-17(12-18)4-6-22(31)29(20)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00700n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351275
PNG
((rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-py...)
Show SMILES CC(C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1ccc2N(C)C(=O)CCc2c1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-8-10-27(11-9-15)14(2)28)18-12-24-25-22(18)17-4-6-19-16(21(17)23)5-7-20(29)26(19)3/h4,6,12-13,15H,5,7-11H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0490n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351278
PNG
(5-Chloro-6-[4-[(2-ethylsulfonyl-2-azaspiro[3.3]hep...)
Show SMILES CCS(=O)(=O)N1CC2(CC(Cc3c[nH]nc3-c3ccc4N(C)C(=O)CCc4c3Cl)C2)C1
Show InChI InChI=1S/C22H27ClN4O3S/c1-3-31(29,30)27-12-22(13-27)9-14(10-22)8-15-11-24-25-21(15)17-4-6-18-16(20(17)23)5-7-19(28)26(18)2/h4,6,11,14H,3,5,7-10,12-13H2,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.215n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351201
PNG
(1-Methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)-4-...)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H28N6O2/c1-28-15-20(14-26-28)24(32)30-9-7-16(8-10-30)11-19-13-25-27-23(19)18-3-5-21-17(12-18)4-6-22(31)29(21)2/h3,5,12-16H,4,6-11H2,1-2H3,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00700n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351259
PNG
(5-Fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-car...)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H27FN6O2/c1-29-14-17(13-27-29)24(33)31-9-7-15(8-10-31)11-16-12-26-28-23(16)19-3-5-20-18(22(19)25)4-6-21(32)30(20)2/h3,5,12-15H,4,6-11H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.723n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM351267
PNG
(CHEM-US-00078 | US9796702, 28)
Show SMILES CN1C(=O)CCc2c(Cl)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ncccc1Cl
Show InChI InChI=1S/C25H25Cl2N5O2/c1-31-20-6-4-18(22(27)17(20)5-7-21(31)33)23-16(14-29-30-23)13-15-8-11-32(12-9-15)25(34)24-19(26)3-2-10-28-24/h2-4,6,10,14-15H,5,7-9,11-13H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.45n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351272
PNG
(CHEM-US-00083 | US9796702, 33)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1cccnc1
Show InChI InChI=1S/C25H27N5O2/c1-29-22-6-4-19(14-18(22)5-7-23(29)31)24-21(16-27-28-24)13-17-8-11-30(12-9-17)25(32)20-3-2-10-26-15-20/h2-4,6,10,14-17H,5,7-9,11-13H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00700n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351274
PNG
((rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-py...)
Show SMILES CC(C1CCN(CC1)C(C)=O)c1c[nH]nc1-c1cc2CCC(=O)N(C)c2cc1F
Show InChI InChI=1S/C22H27FN4O2/c1-13(15-6-8-27(9-7-15)14(2)28)18-12-24-25-22(18)17-10-16-4-5-21(29)26(3)20(16)11-19(17)23/h10-13,15H,4-9H2,1-3H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00500n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM351263
PNG
(CHEM-US-00074 | US9796702, 24 | US9796702, 26)
Show SMILES CN1C(=O)CCc2c(F)c(ccc12)-c1n[nH]cc1CC1CCN(CC1)C(=O)c1ccnn1C
Show InChI InChI=1S/C24H27FN6O2/c1-29-19-5-3-18(22(25)17(19)4-6-21(29)32)23-16(14-26-28-23)13-15-8-11-31(12-9-15)24(33)20-7-10-27-30(20)2/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0200n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...


US Patent US9796702 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%