BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 413 hits of ec50 data for polymerid = 50000926,50006986,555   
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))
BDBM279788
PNG
(US10035804, Example 59)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H29ClN6O2/c1-26(2)23-10-19(28)4-5-22(23)25(36)34(26)21-11-20(13-29-14-21)32-8-6-27(7-9-32)16-33(17-27)24(35)18-12-30-31(3)15-18/h4-5,10-15H,6-9,16-17H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00100n/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))
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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279790
PNG
(US10035804, Example 61)
Show SMILES Cc1ccncc1C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C29H30ClN5O2/c1-19-6-9-31-16-24(19)26(36)34-17-29(18-34)7-10-33(11-8-29)21-13-22(15-32-14-21)35-27(37)23-5-4-20(30)12-25(23)28(35,2)3/h4-6,9,12-16H,7-8,10-11,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279789
PNG
(US10035804, Example 60)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C28H31ClN6O2/c1-4-34-16-19(13-31-34)25(36)33-17-28(18-33)7-9-32(10-8-28)21-12-22(15-30-14-21)35-26(37)23-6-5-20(29)11-24(23)27(35,2)3/h5-6,11-16H,4,7-10,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279785
PNG
(US10035804, Example 56)
Show SMILES Cn1cc(cn1)C(=O)N1CCC2(CN(C2)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)CC1
Show InChI InChI=1S/C27H29ClN6O2/c1-26(2)23-10-19(28)4-5-22(23)25(36)34(26)21-11-20(13-29-14-21)33-16-27(17-33)6-8-32(9-7-27)24(35)18-12-30-31(3)15-18/h4-5,10-15H,6-9,16-17H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279787
PNG
(US10035804, Example 58)
Show SMILES CCn1cc(cn1)C(=O)N1CCC2(CN(C2)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)CC1
Show InChI InChI=1S/C28H31ClN6O2/c1-4-34-16-19(13-31-34)25(36)32-9-7-28(8-10-32)17-33(18-28)21-12-22(15-30-14-21)35-26(37)23-6-5-20(29)11-24(23)27(35,2)3/h5-6,11-16H,4,7-10,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00400n/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
AffyNet 
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 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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279784
PNG
(US10035804, Example 55)
Show SMILES C[C@@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(N2CC3(CN(C3)C(=O)c3cnn(C)c3)C2)c1C
Show InChI InChI=1S/C25H25ClN6O2/c1-15-21(30-11-25(12-30)13-31(14-25)23(33)17-7-28-29(3)10-17)8-27-9-22(15)32-16(2)20-6-18(26)4-5-19(20)24(32)34/h4-10,16H,11-14H2,1-3H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279783
PNG
(US10035804, Example 54)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(N2CC3(CN(C3)C(=O)c3cnn(C)c3)C2)c1C
Show InChI InChI=1S/C25H25ClN6O2/c1-15-21(30-11-25(12-30)13-31(14-25)23(33)17-7-28-29(3)10-17)8-27-9-22(15)32-16(2)20-6-18(26)4-5-19(20)24(32)34/h4-10,16H,11-14H2,1-3H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279781
PNG
(US10035804, Example 52)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1[C@H](C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C25H25ClN6O2/c1-3-31-11-17(8-28-31)23(33)30-14-25(15-30)12-29(13-25)19-7-20(10-27-9-19)32-16(2)22-6-18(26)4-5-21(22)24(32)34/h4-11,16H,3,12-15H2,1-2H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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
AffyNet 
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 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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279771
PNG
(US10035804, Example 42)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cocn2)C1
Show InChI InChI=1S/C24H22ClN5O3/c1-23(2)19-5-15(25)3-4-18(19)21(31)30(23)17-6-16(7-26-8-17)28-10-24(11-28)12-29(13-24)22(32)20-9-33-14-27-20/h3-9,14H,10-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279780
PNG
(US10035804, Example 51)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1[C@@H](C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C25H25ClN6O2/c1-3-31-11-17(8-28-31)23(33)30-14-25(15-30)12-29(13-25)19-7-20(10-27-9-19)32-16(2)22-6-18(26)4-5-21(22)24(32)34/h4-11,16H,3,12-15H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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
AffyNet 
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 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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM249226
PNG
(US9458135, 14)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CSc2cccc(C)n2)c1
Show InChI InChI=1S/C22H21N3OS/c1-15-4-3-5-21(24-15)27-14-16-10-19(13-23-12-16)17-6-8-20-18(11-17)7-9-22(26)25(20)2/h3-6,8,10-13H,7,9,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
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 US9458135 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5F04
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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279761
PNG
(US10035804, Example 32)
Show SMILES Cc1ocnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-21(28-14-34-15)23(33)30-12-25(13-30)10-29(11-25)17-7-18(9-27-8-17)31-22(32)19-5-4-16(26)6-20(19)24(31,2)3/h4-9,14H,10-13H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279772
PNG
(US10035804, Example 43)
Show SMILES Cc1ncc(o1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-28-10-21(34-15)23(33)30-13-25(14-30)11-29(12-25)17-7-18(9-27-8-17)31-22(32)19-5-4-16(26)6-20(19)24(31,2)3/h4-10H,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0180n/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279779
PNG
(US10035804, Example 50)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnccc2C#N)C1
Show InChI InChI=1S/C27H23ClN6O2/c1-26(2)23-7-18(28)3-4-21(23)25(36)34(26)20-8-19(10-31-11-20)32-13-27(14-32)15-33(16-27)24(35)22-12-30-6-5-17(22)9-29/h3-8,10-12H,13-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279767
PNG
(US10035804, Example 38)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cnccn2)C1
Show InChI InChI=1S/C25H23ClN6O2/c1-24(2)20-7-16(26)3-4-19(20)22(33)32(24)18-8-17(9-28-10-18)30-12-25(13-30)14-31(15-25)23(34)21-11-27-5-6-29-21/h3-11H,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0270n/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))
BDBM279768
PNG
(US10035804, Example 39)
Show SMILES Cc1oncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-20(10-28-34-15)22(32)30-13-25(14-30)11-29(12-25)17-7-18(9-27-8-17)31-23(33)19-5-4-16(26)6-21(19)24(31,2)3/h4-10H,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279775
PNG
(US10035804, Example 46)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccc2C#N)C1
Show InChI InChI=1S/C27H23ClN6O2/c1-26(2)22-8-18(28)5-6-21(22)24(35)34(26)20-9-19(11-30-12-20)32-13-27(14-32)15-33(16-27)25(36)23-17(10-29)4-3-7-31-23/h3-9,11-12H,13-16H2,1-2H3
PDB

UniProtKB/SwissProt

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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 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
AffyNet 
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279782
PNG
(US10035804, Example 53)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H23ClN6O2/c1-28-11-17(8-27-28)22(32)30-14-24(15-30)12-29(13-24)19-7-20(10-26-9-19)31-5-4-16-6-18(25)2-3-21(16)23(31)33/h2-3,6-11H,4-5,12-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0460n/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))
BDBM279765
PNG
(US10035804, Example 36)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cncc(c2)C#N)C1
Show InChI InChI=1S/C27H23ClN6O2/c1-26(2)23-6-19(28)3-4-22(23)25(36)34(26)21-7-20(11-31-12-21)32-13-27(14-32)15-33(16-27)24(35)18-5-17(8-29)9-30-10-18/h3-7,9-12H,13-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0460n/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))
BDBM279759
PNG
(US10035804, Example 30)
Show SMILES Cc1cnc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-8-30-22(11-29-16)24(35)32-14-26(15-32)12-31(13-26)18-7-19(10-28-9-18)33-23(34)20-5-4-17(27)6-21(20)25(33,2)3/h4-11H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0460n/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))
BDBM279786
PNG
(US10035804, Example 57)
Show SMILES Cc1ccncc1C(=O)N1CCC2(CN(C2)c2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)CC1
Show InChI InChI=1S/C29H30ClN5O2/c1-19-6-9-31-16-24(19)26(36)33-10-7-29(8-11-33)17-34(18-29)21-13-22(15-32-14-21)35-27(37)23-5-4-20(30)12-25(23)28(35,2)3/h4-6,9,12-16H,7-8,10-11,17-18H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0490n/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))
BDBM279762
PNG
(US10035804, Example 33)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccn2)C1
Show InChI InChI=1S/C25H23ClN6O2/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)21-28-6-3-7-29-21/h3-11H,12-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0500n/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))
BDBM279769
PNG
(US10035804, Example 40)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cncnc2)C1
Show InChI InChI=1S/C25H23ClN6O2/c1-24(2)21-5-17(26)3-4-20(21)23(34)32(24)19-6-18(9-27-10-19)30-11-25(12-30)13-31(14-25)22(33)16-7-28-15-29-8-16/h3-10,15H,11-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0540n/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))
BDBM279757
PNG
(US10035804, Example 28)
Show SMILES Cc1cncc(n1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-8-28-11-22(30-16)24(35)32-14-26(15-32)12-31(13-26)18-7-19(10-29-9-18)33-23(34)20-5-4-17(27)6-21(20)25(33,2)3/h4-11H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0580n/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))
BDBM279774
PNG
(US10035804, Example 45)
Show SMILES Cc1nc(co1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H24ClN5O3/c1-15-28-21(10-34-15)23(33)30-13-25(14-30)11-29(12-25)17-7-18(9-27-8-17)31-22(32)19-5-4-16(26)6-20(19)24(31,2)3/h4-10H,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0680n/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))
BDBM279758
PNG
(US10035804, Example 29)
Show SMILES Cc1ncncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-21(10-29-15-30-16)23(34)32-13-26(14-32)11-31(12-26)18-7-19(9-28-8-18)33-24(35)20-5-4-17(27)6-22(20)25(33,2)3/h4-10,15H,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0750n/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))
BDBM279766
PNG
(US10035804, Example 37)
Show SMILES COc1nccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O3/c1-25(2)20-8-16(27)4-5-19(20)23(34)33(25)18-9-17(10-28-11-18)31-12-26(13-31)14-32(15-26)24(35)21-22(36-3)30-7-6-29-21/h4-11H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0750n/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))
BDBM279755
PNG
(US10035804, Example 26)
Show SMILES Cc1c(cnn1C)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H27ClN6O2/c1-16-21(11-29-30(16)4)23(34)32-14-26(15-32)12-31(13-26)18-8-19(10-28-9-18)33-24(35)20-6-5-17(27)7-22(20)25(33,2)3/h5-11H,12-15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0770n/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279773
PNG
(US10035804, Example 44)
Show SMILES Cc1nc(C)c(o1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H26ClN5O3/c1-15-22(35-16(2)29-15)24(34)31-13-26(14-31)11-30(12-26)18-8-19(10-28-9-18)32-23(33)20-6-5-17(27)7-21(20)25(32,3)4/h5-10H,11-14H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0910n/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))
BDBM279763
PNG
(US10035804, Example 34)
Show SMILES Cc1cnc(nc1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C26H25ClN6O2/c1-16-8-29-22(30-9-16)24(35)32-14-26(15-32)12-31(13-26)18-7-19(11-28-10-18)33-23(34)20-5-4-17(27)6-21(20)25(33,2)3/h4-11H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0970n/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))
BDBM249232
PNG
(US9458135, 20)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C21H17ClFN3O2/c1-26-19-8-18(23)17(7-14(19)2-5-21(26)27)15-6-13(9-24-10-15)12-28-20-4-3-16(22)11-25-20/h3-4,6-11H,2,5,12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.100n/an/an/an/a



Hoffmann-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 US9458135 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 413 total )  |  Next  |  Last  >>
Jump to: