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Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with all data for entry = 581   
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))
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
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11.3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279731
PNG
(US10035804, Example 2)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H27ClN6O2/c1-4-32-12-17(9-29-32)23(34)31-15-26(16-31)13-30(14-26)19-8-20(11-28-10-19)33-24(35)21-6-5-18(27)7-22(21)25(33,2)3/h5-12H,4,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279731
PNG
(US10035804, Example 2)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H27ClN6O2/c1-4-32-12-17(9-29-32)23(34)31-15-26(16-31)13-30(14-26)19-8-20(11-28-10-19)33-24(35)21-6-5-18(27)7-22(21)25(33,2)3/h5-12H,4,13-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11.1n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279732
PNG
(US10035804, Example 3)
Show SMILES CC(C)n1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H29ClN6O2/c1-17(2)33-12-18(9-30-33)24(35)32-15-27(16-32)13-31(14-27)20-8-21(11-29-10-20)34-25(36)22-6-5-19(28)7-23(22)26(34,3)4/h5-12,17H,13-16H2,1-4H3
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279732
PNG
(US10035804, Example 3)
Show SMILES CC(C)n1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H29ClN6O2/c1-17(2)33-12-18(9-30-33)24(35)32-15-27(16-32)13-31(14-27)20-8-21(11-29-10-20)34-25(36)22-6-5-19(28)7-23(22)26(34,3)4/h5-12,17H,13-16H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11.1n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279733
PNG
(US10035804, Example 4)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-8-16(26)4-5-19(20)22(33)32(24)18-9-17(10-27-11-18)30-12-25(13-30)14-31(15-25)23(34)21-28-6-7-29(21)3/h4-11H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0100n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279733
PNG
(US10035804, Example 4)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-8-16(26)4-5-19(20)22(33)32(24)18-9-17(10-27-11-18)30-12-25(13-30)14-31(15-25)23(34)21-28-6-7-29(21)3/h4-11H,12-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.10n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279734
PNG
(US10035804, Example 5)
Show SMILES Cn1nccc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-8-16(26)4-5-19(20)22(33)32(24)18-9-17(10-27-11-18)30-12-25(13-30)14-31(15-25)23(34)21-6-7-28-29(21)3/h4-11H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.145n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279734
PNG
(US10035804, Example 5)
Show SMILES Cn1nccc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-8-16(26)4-5-19(20)22(33)32(24)18-9-17(10-27-11-18)30-12-25(13-30)14-31(15-25)23(34)21-6-7-28-29(21)3/h4-11H,12-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15.7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279735
PNG
(US10035804, Example 6)
Show SMILES Cn1cncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-6-16(26)4-5-19(20)22(33)32(24)18-7-17(8-27-9-18)30-11-25(12-30)13-31(14-25)23(34)21-10-28-15-29(21)3/h4-10,15H,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279735
PNG
(US10035804, Example 6)
Show SMILES Cn1cncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)20-6-16(26)4-5-19(20)22(33)32(24)18-7-17(8-27-9-18)30-11-25(12-30)13-31(14-25)23(34)21-10-28-15-29(21)3/h4-10,15H,11-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.94n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(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
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 25.7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279737
PNG
(US10035804, Example 8)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)22-6-17(8-27)4-5-21(22)24(35)33(25)20-7-19(10-28-11-20)31-13-26(14-31)15-32(16-26)23(34)18-9-29-30(3)12-18/h4-7,9-12H,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.112n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279737
PNG
(US10035804, Example 8)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)22-6-17(8-27)4-5-21(22)24(35)33(25)20-7-19(10-28-11-20)31-13-26(14-31)15-32(16-26)23(34)18-9-29-30(3)12-18/h4-7,9-12H,13-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>30n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279738
PNG
(US10035804, Example 9)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C27H27N7O2/c1-4-33-13-19(10-30-33)24(35)32-16-27(17-32)14-31(15-27)20-8-21(12-29-11-20)34-25(36)22-6-5-18(9-28)7-23(22)26(34,2)3/h5-8,10-13H,4,14-17H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00900n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279738
PNG
(US10035804, Example 9)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C27H27N7O2/c1-4-33-13-19(10-30-33)24(35)32-16-27(17-32)14-31(15-27)20-8-21(12-29-11-20)34-25(36)22-6-5-18(9-28)7-23(22)26(34,2)3/h5-8,10-13H,4,14-17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 24.4n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279739
PNG
(US10035804, Example 10)
Show SMILES CC(C)n1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C28H29N7O2/c1-18(2)34-13-20(10-31-34)25(36)33-16-28(17-33)14-32(15-28)21-8-22(12-30-11-21)35-26(37)23-6-5-19(9-29)7-24(23)27(35,3)4/h5-8,10-13,18H,14-17H2,1-4H3
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279739
PNG
(US10035804, Example 10)
Show SMILES CC(C)n1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C28H29N7O2/c1-18(2)34-13-20(10-31-34)25(36)33-16-28(17-33)14-32(15-28)21-8-22(12-30-11-21)35-26(37)23-6-5-19(9-29)7-24(23)27(35,3)4/h5-8,10-13,18H,14-17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 25.6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279740
PNG
(US10035804, Example 11)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-29-6-7-30(22)3/h4-9,11-12H,13-16H2,1-3H3
PDB

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n/an/an/an/a 0.0250n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279740
PNG
(US10035804, Example 11)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-29-6-7-30(22)3/h4-9,11-12H,13-16H2,1-3H3
PDB

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n/an/an/an/a 4.76n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279741
PNG
(US10035804, Example 12)
Show SMILES Cn1nccc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-6-7-29-30(22)3/h4-9,11-12H,13-16H2,1-3H3
PDB

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n/an/an/an/a 0.191n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279741
PNG
(US10035804, Example 12)
Show SMILES Cn1nccc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-6-7-29-30(22)3/h4-9,11-12H,13-16H2,1-3H3
PDB

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n/an/an/an/a>30n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279742
PNG
(US10035804, Example 13)
Show SMILES Cn1cncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-6-17(8-27)4-5-20(21)23(34)33(25)19-7-18(9-28-10-19)31-12-26(13-31)14-32(15-26)24(35)22-11-29-16-30(22)3/h4-7,9-11,16H,12-15H2,1-3H3
PDB

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n/an/an/an/a 0.0280n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279742
PNG
(US10035804, Example 13)
Show SMILES Cn1cncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-6-17(8-27)4-5-20(21)23(34)33(25)19-7-18(9-28-10-19)31-12-26(13-31)14-32(15-26)24(35)22-11-29-16-30(22)3/h4-7,9-11,16H,12-15H2,1-3H3
PDB

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n/an/an/an/a 26.4n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279743
PNG
(US10035804, Example 14)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C28H26N6O2/c1-18-6-7-30-13-23(18)25(35)33-16-28(17-33)14-32(15-28)20-9-21(12-31-11-20)34-26(36)22-5-4-19(10-29)8-24(22)27(34,2)3/h4-9,11-13H,14-17H2,1-3H3
PDB

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n/an/an/an/a 0.0410n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279743
PNG
(US10035804, Example 14)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C28H26N6O2/c1-18-6-7-30-13-23(18)25(35)33-16-28(17-33)14-32(15-28)20-9-21(12-31-11-20)34-26(36)22-5-4-19(10-29)8-24(22)27(34,2)3/h4-9,11-13H,14-17H2,1-3H3
PDB

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n/an/an/an/a 21n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279744
PNG
(US10035804, Example 15)
Show SMILES COc1ccc2C(=O)N(c3cncc(c3)N3CC4(CN(C4)C(=O)c4cnn(C)c4)C3)C(C)(C)c2n1
Show InChI InChI=1S/C25H27N7O3/c1-24(2)21-19(5-6-20(28-21)35-4)23(34)32(24)18-7-17(9-26-10-18)30-12-25(13-30)14-31(15-25)22(33)16-8-27-29(3)11-16/h5-11H,12-15H2,1-4H3
PDB

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n/an/an/an/a 0.0210n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279744
PNG
(US10035804, Example 15)
Show SMILES COc1ccc2C(=O)N(c3cncc(c3)N3CC4(CN(C4)C(=O)c4cnn(C)c4)C3)C(C)(C)c2n1
Show InChI InChI=1S/C25H27N7O3/c1-24(2)21-19(5-6-20(28-21)35-4)23(34)32(24)18-7-17(9-26-10-18)30-12-25(13-30)14-31(15-25)22(33)16-8-27-29(3)11-16/h5-11H,12-15H2,1-4H3
PDB

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n/an/an/an/a 18.9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279745
PNG
(US10035804, Example 16)
Show SMILES COc1ccc2C(=O)N(c3cncc(c3)N3CC4(CN(C4)C(=O)c4cnccc4C)C3)C(C)(C)c2n1
Show InChI InChI=1S/C27H28N6O3/c1-17-7-8-28-12-21(17)24(34)32-15-27(16-32)13-31(14-27)18-9-19(11-29-10-18)33-25(35)20-5-6-22(36-4)30-23(20)26(33,2)3/h5-12H,13-16H2,1-4H3
PDB

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n/an/an/an/a 0.0830n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279745
PNG
(US10035804, Example 16)
Show SMILES COc1ccc2C(=O)N(c3cncc(c3)N3CC4(CN(C4)C(=O)c4cnccc4C)C3)C(C)(C)c2n1
Show InChI InChI=1S/C27H28N6O3/c1-17-7-8-28-12-21(17)24(34)32-15-27(16-32)13-31(14-27)18-9-19(11-29-10-18)33-25(35)20-5-6-22(36-4)30-23(20)26(33,2)3/h5-12H,13-16H2,1-4H3
PDB

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n/an/an/an/a 29.3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279746
PNG
(US10035804, Example 17)
Show SMILES COc1ccc2C(=O)N(c3cncc(c3)N3CC4(CN(C4)C(=O)c4ccnn4C)C3)C(C)(C)c2n1
Show InChI InChI=1S/C25H27N7O3/c1-24(2)21-18(5-6-20(28-21)35-4)22(33)32(24)17-9-16(10-26-11-17)30-12-25(13-30)14-31(15-25)23(34)19-7-8-27-29(19)3/h5-11H,12-15H2,1-4H3
PDB

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n/an/an/an/a 0.901n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279746
PNG
(US10035804, Example 17)
Show SMILES COc1ccc2C(=O)N(c3cncc(c3)N3CC4(CN(C4)C(=O)c4ccnn4C)C3)C(C)(C)c2n1
Show InChI InChI=1S/C25H27N7O3/c1-24(2)21-18(5-6-20(28-21)35-4)22(33)32(24)17-9-16(10-26-11-17)30-12-25(13-30)14-31(15-25)23(34)19-7-8-27-29(19)3/h5-11H,12-15H2,1-4H3
PDB

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n/an/an/an/a 33.2n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279747
PNG
(US10035804, Example 18)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3
PDB

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n/an/an/an/a 0.00800n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279747
PNG
(US10035804, Example 18)
Show SMILES CC1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3
PDB

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n/an/an/an/a 16.7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279748
PNG
(US10035804, Example 19)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C25H23ClN6O2/c1-29-11-16(8-28-29)22(33)31-14-24(15-31)12-30(13-24)18-7-19(10-27-9-18)32-23(34)20-3-2-17(26)6-21(20)25(32)4-5-25/h2-3,6-11H,4-5,12-15H2,1H3
PDB

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n/an/an/an/a 0.00300n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279748
PNG
(US10035804, Example 19)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C25H23ClN6O2/c1-29-11-16(8-28-29)22(33)31-14-24(15-31)12-30(13-24)18-7-19(10-27-9-18)32-23(34)20-3-2-17(26)6-21(20)25(32)4-5-25/h2-3,6-11H,4-5,12-15H2,1H3
PDB

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n/an/an/an/a 7.69n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279749
PNG
(US10035804, Example 20)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C27H24ClN5O2/c1-17-4-7-29-12-22(17)24(34)32-15-26(16-32)13-31(14-26)19-9-20(11-30-10-19)33-25(35)21-3-2-18(28)8-23(21)27(33)5-6-27/h2-4,7-12H,5-6,13-16H2,1H3
PDB

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n/an/an/an/a 0.0190n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279749
PNG
(US10035804, Example 20)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C27H24ClN5O2/c1-17-4-7-29-12-22(17)24(34)32-15-26(16-32)13-31(14-26)19-9-20(11-30-10-19)33-25(35)21-3-2-18(28)8-23(21)27(33)5-6-27/h2-4,7-12H,5-6,13-16H2,1H3
PDB

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n/an/an/an/a 20n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279750
PNG
(US10035804, Example 21)
Show SMILES Cn1nccc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C25H23ClN6O2/c1-29-21(4-7-28-29)23(34)31-14-24(15-31)12-30(13-24)17-9-18(11-27-10-17)32-22(33)19-3-2-16(26)8-20(19)25(32)5-6-25/h2-4,7-11H,5-6,12-15H2,1H3
PDB

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n/an/an/an/a 0.293n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279750
PNG
(US10035804, Example 21)
Show SMILES Cn1nccc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C11CC1
Show InChI InChI=1S/C25H23ClN6O2/c1-29-21(4-7-28-29)23(34)31-14-24(15-31)12-30(13-24)17-9-18(11-27-10-17)32-22(33)19-3-2-16(26)8-20(19)25(32)5-6-25/h2-4,7-11H,5-6,12-15H2,1H3
PDB

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n/an/an/an/a>30n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279751
PNG
(US10035804, Example 22)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279751
PNG
(US10035804, Example 22)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 37.4n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279752
PNG
(US10035804, Example 23)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279752
PNG
(US10035804, Example 23)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnn(C)c2)C1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-21-5-17(25)3-4-20(21)23(33)31(15)19-6-18(8-26-9-19)29-11-24(12-29)13-30(14-24)22(32)16-7-27-28(2)10-16/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279753
PNG
(US10035804, Example 24)
Show SMILES COc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H26ClN5O3/c1-26(2)22-8-17(28)4-5-20(22)25(35)33(26)19-9-18(10-30-11-19)31-13-27(14-31)15-32(16-27)24(34)21-12-29-7-6-23(21)36-3/h4-12H,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0450n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279753
PNG
(US10035804, Example 24)
Show SMILES COc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H26ClN5O3/c1-26(2)22-8-17(28)4-5-20(22)25(35)33(26)19-9-18(10-30-11-19)31-13-27(14-31)15-32(16-27)24(34)21-12-29-7-6-23(21)36-3/h4-12H,13-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 17.2n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279754
PNG
(US10035804, Example 25)
Show SMILES Cc1cnc(C)c(n1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H27ClN6O2/c1-16-9-30-17(2)23(31-16)25(36)33-14-27(15-33)12-32(13-27)19-8-20(11-29-10-19)34-24(35)21-6-5-18(28)7-22(21)26(34,3)4/h5-11H,12-15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.102n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

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


(Homo sapiens (Human))
BDBM279754
PNG
(US10035804, Example 25)
Show SMILES Cc1cnc(C)c(n1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H27ClN6O2/c1-16-9-30-17(2)23(31-16)25(36)33-14-27(15-33)12-32(13-27)19-8-20(11-29-10-19)34-24(35)21-6-5-18(28)7-22(21)26(34,3)4/h5-11H,12-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17.2n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

More data for this
Ligand-Target Pair
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