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Patent code US9790217

Compile Data Set for Download or QSAR
Found 174 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 11B1


(Homo sapiens (Human))
BDBM347685
PNG
((E)-2-(4-Chlorophenoxy)-1-[2- (difluoromethoxy)phe...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C18H16ClF2NO3/c1-22(2)11-16(24-13-9-7-12(19)8-10-13)17(23)14-5-3-4-6-15(14)25-18(20)21/h3-11,18H,1-2H3/b16-11+
PDB

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US Patent
n/an/an/an/a 0.0760n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347686
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-fl...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H15ClFNO2/c1-20(2)11-16(22-13-9-7-12(18)8-10-13)17(21)14-5-3-4-6-15(14)19/h3-11H,1-2H3/b16-11+
PDB

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US Patent
n/an/an/an/a 0.167n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347692
PNG
((E)-2-(4-Chlorophenoxy)-1-(2,4- difluorophenyl)-3-...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C17H14ClF2NO2/c1-21(2)10-16(23-13-6-3-11(18)4-7-13)17(22)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3/b16-10+
PDB

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US Patent
n/an/an/an/a 0.0190n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347706
PNG
((E)-1-[(2,3-Difluorobenzoyl)-2-(dimethylamino)viny...)
Show SMILES CN(C)C(=C\OC1(CC=CC=C1)C#N)\C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C18H16F2N2O2/c1-22(2)15(11-24-18(12-21)9-4-3-5-10-18)17(23)13-7-6-8-14(19)16(13)20/h3-9,11H,10H2,1-2H3/b15-11+
PDB

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n/an/an/an/a 0.161n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347712
PNG
(4-[(Z)-1-(2-Chloro-3-fluoro- benzoyl)- (dimethylam...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(20)17(14)19/h3-9,11H,1-2H3/b16-11-
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347718
PNG
(4-[(Z)-1-(2-Benzyloxybenzoyl)-2- (dimethylamino)vi...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-27(2)17-24(30-21-14-12-19(16-26)13-15-21)25(28)22-10-6-7-11-23(22)29-18-20-8-4-3-5-9-20/h3-15,17H,18H2,1-2H3/b24-17-
PDB

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n/an/an/an/a 0.00100n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347726
PNG
(4-[[3-[3-(Hydroxymethyl)phenyl]-1H-pyrazol-4-yl]ox...)
Show SMILES OCc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H13N3O2/c18-9-12-4-6-15(7-5-12)22-16-10-19-20-17(16)14-3-1-2-13(8-14)11-21/h1-8,10,21H,11H2,(H,19,20)
PDB

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n/an/an/an/a 0.0850n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347736
PNG
(4-[[3-[2-(2-Methoxyphenyl)ethyl]-1H-pyrazol-4-yl]o...)
Show SMILES COc1ccccc1CCc1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O2/c1-23-18-5-3-2-4-15(18)8-11-17-19(13-21-22-17)24-16-9-6-14(12-20)7-10-16/h2-7,9-10,13H,8,11H2,1H3,(H,21,22)
PDB

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n/an/an/an/a 1n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347740
PNG
((rac)-4-[[3-[1-(Pyridine-2-carbonyl)piperidin-3-yl...)
Show SMILES O=C(N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N)c1ccccn1
Show InChI InChI=1S/C21H19N5O2/c22-12-15-6-8-17(9-7-15)28-19-13-24-25-20(19)16-4-3-11-26(14-16)21(27)18-5-1-2-10-23-18/h1-2,5-10,13,16H,3-4,11,14H2,(H,24,25)
PDB

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n/an/an/an/a 1.41n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347740
PNG
((rac)-4-[[3-[1-(Pyridine-2-carbonyl)piperidin-3-yl...)
Show SMILES O=C(N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N)c1ccccn1
Show InChI InChI=1S/C21H19N5O2/c22-12-15-6-8-17(9-7-15)28-19-13-24-25-20(19)16-4-3-11-26(14-16)21(27)18-5-1-2-10-23-18/h1-2,5-10,13,16H,3-4,11,14H2,(H,24,25)
PDB

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n/an/an/an/a 5.91n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347742
PNG
(4-[[3-(1-Methylpyrazol-4-yl)-1H-pyrazol-4-yl]oxy]b...)
Show SMILES Cn1cc(cn1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C14H11N5O/c1-19-9-11(7-17-19)14-13(8-16-18-14)20-12-4-2-10(6-15)3-5-12/h2-5,7-9H,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 0.251n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347744
PNG
(4-[[3-[3-[(6-Fluoropyridin-2-yl)oxymethyl]phenyl]-...)
Show SMILES Fc1cccc(OCc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C22H15FN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,13H,14H2,(H,25,27)
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
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347752
PNG
(4-[[3-[3-[[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl...)
Show SMILES OCC1(F)CN(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H19FN4O2/c22-21(14-27)12-26(13-21)11-16-2-1-3-17(8-16)20-19(10-24-25-20)28-18-6-4-15(9-23)5-7-18/h1-8,10,27H,11-14H2,(H,24,25)
PDB

UniProtKB/SwissProt

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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
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347756
PNG
(CHEM-US-00173 | US9790217, 78)
Show SMILES Oc1ccccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O2/c17-9-11-5-7-12(8-6-11)21-15-10-18-19-16(15)13-3-1-2-4-14(13)20/h1-8,10,20H,(H,18,19)
PDB

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n/an/an/an/a 0.0110n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347757
PNG
(CHEM-US-00174 | US9790217, 79)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccccn2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-8-10-18(11-9-16)28-21-14-25-26-22(21)19-6-1-2-7-20(19)27-15-17-5-3-4-12-24-17/h1-12,14H,15H2,(H,25,26)
PDB

UniProtKB/SwissProt

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UniChem
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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347759
PNG
(CHEM-US-00176 | US9790217, 81)
Show SMILES Cn1nncc1COc1ccccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N6O2/c1-26-15(11-23-25-26)13-27-18-5-3-2-4-17(18)20-19(12-22-24-20)28-16-8-6-14(10-21)7-9-16/h2-9,11-12H,13H2,1H3,(H,22,24)
PDB

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n/an/an/an/a 0.171n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347679
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-me...)
Show SMILES COc1ccccc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C
Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(23-14-10-8-13(19)9-11-14)18(21)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3/b17-12+
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
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347694
PNG
((E)-1-(2-Chloro-4-methylsulfanyl- phenyl)-2-(4-chl...)
Show SMILES CSc1ccc(C(=O)C(\Oc2ccc(Cl)cc2)=C/N(C)C)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2NO2S/c1-21(2)11-17(23-13-6-4-12(19)5-7-13)18(22)15-9-8-14(24-3)10-16(15)20/h4-11H,1-3H3/b17-11+
PDB

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n/an/an/an/a 0.522n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347699
PNG
((E)-1-(2,4-Dichlorophenyl)-3- (dimethylamino)-2-[(...)
Show SMILES CN(C)\C=C(\Oc1cccc(F)n1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2FN2O2/c1-21(2)9-13(23-15-5-3-4-14(19)20-15)16(22)11-7-6-10(17)8-12(11)18/h3-9H,1-2H3/b13-9+
PDB

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n/an/an/an/a 0.101n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347700
PNG
((E)-1-(2,4-Dichlorophenyl)-3- (dimethylamino)-2-[(...)
Show SMILES CN(C)\C=C(\Oc1cccc(C)n1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H16Cl2N2O2/c1-11-5-4-6-16(20-11)23-15(10-21(2)3)17(22)13-8-7-12(18)9-14(13)19/h4-10H,1-3H3/b15-10+
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 0.0420n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347706
PNG
((E)-1-[(2,3-Difluorobenzoyl)-2-(dimethylamino)viny...)
Show SMILES CN(C)C(=C\OC1(CC=CC=C1)C#N)\C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C18H16F2N2O2/c1-22(2)15(11-24-18(12-21)9-4-3-5-10-18)17(23)13-7-6-8-14(19)16(13)20/h3-9,11H,10H2,1-2H3/b15-11+
PDB

UniProtKB/SwissProt

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347710
PNG
(Methyl 3-[(E)-2-(4-cyanophenoxy)- 3-(dimethylamino...)
Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1)C#N)=C/N(C)C
Show InChI InChI=1S/C20H18N2O4/c1-22(2)13-18(26-17-9-7-14(12-21)8-10-17)19(23)15-5-4-6-16(11-15)20(24)25-3/h4-11,13H,1-3H3/b18-13+
PDB

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n/an/an/an/a 0.0310n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347712
PNG
(4-[(Z)-1-(2-Chloro-3-fluoro- benzoyl)- (dimethylam...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(20)17(14)19/h3-9,11H,1-2H3/b16-11-
PDB

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n/an/an/an/a 0.0690n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347721
PNG
(4-[[3-[3-(4-Acetylpiperazine-1-carbonyl)phenyl]-1H...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N5O3/c1-16(29)27-9-11-28(12-10-27)23(30)19-4-2-3-18(13-19)22-21(15-25-26-22)31-20-7-5-17(14-24)6-8-20/h2-8,13,15H,9-12H2,1H3,(H,25,26)
PDB

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n/an/an/an/a 0.313n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347722
PNG
(US9790217, 45)
Show SMILES O=C(N1CCOCC1)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O3/c22-13-15-4-6-18(7-5-15)28-19-14-23-24-20(19)16-2-1-3-17(12-16)21(26)25-8-10-27-11-9-25/h1-7,12,14H,8-11H2,(H,23,24)
PDB

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n/an/an/an/a 2.40n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347723
PNG
(US9790217, 46)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O4S/c1-32(29,30)27-11-9-26(10-12-27)22(28)18-4-2-3-17(13-18)21-20(15-24-25-21)31-19-7-5-16(14-23)6-8-19/h2-8,13,15H,9-12H2,1H3,(H,24,25)
PDB

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n/an/an/an/a 1.05n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347724
PNG
(CHEM-US-00117 | US9790217, 47)
Show SMILES OCC1CN(C1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O3/c22-9-14-4-6-18(7-5-14)28-19-10-23-24-20(19)16-2-1-3-17(8-16)21(27)25-11-15(12-25)13-26/h1-8,10,15,26H,11-13H2,(H,23,24)
PDB

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n/an/an/an/a 0.281n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347727
PNG
(4-[[3-[3-(Pyridin-2-ylmethoxy)phenyl]-1H-pyrazol-4...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3ccccn3)c2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-7-9-19(10-8-16)28-21-14-25-26-22(21)17-4-3-6-20(12-17)27-15-18-5-1-2-11-24-18/h1-12,14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.0520n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347728
PNG
(US9790217, 51)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3cccnc3)c2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-12-16-6-8-19(9-7-16)28-21-14-25-26-22(21)18-4-1-5-20(11-18)27-15-17-3-2-10-24-13-17/h1-11,13-14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.00900n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347737
PNG
((rac)-4-[[3-(1-Acetylpiperidin-3-yl)-1H-pyrazol-4-...)
Show SMILES CC(=O)N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H18N4O2/c1-12(22)21-8-2-3-14(11-21)17-16(10-19-20-17)23-15-6-4-13(9-18)5-7-15/h4-7,10,14H,2-3,8,11H2,1H3,(H,19,20)
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n/an/an/an/a 2.28n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347748
PNG
(CHEM-US-00163 | US9790217, 71)
Show SMILES [O-]c1ccc[n+](Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C22H16N4O2/c23-12-16-6-8-20(9-7-16)28-21-13-24-25-22(21)18-4-1-3-17(11-18)14-26-10-2-5-19(27)15-26/h1-11,13,15H,14H2,(H-,24,25,27)
PDB

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n/an/an/an/a 5.88n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347750
PNG
(CHEM-US-00164 | US9790217, 72)
Show SMILES O=c1ccn(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-4-6-20(7-5-16)28-21-14-24-25-22(21)18-3-1-2-17(12-18)15-26-10-8-19(27)9-11-26/h1-12,14H,15H2,(H,24,25)
PDB

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n/an/an/an/a 19.3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347751
PNG
(CHEM-US-00165 | US9790217, 73)
Show SMILES Clc1cccc(OCc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C22H15ClN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,13H,14H2,(H,25,27)
PDB

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n/an/an/an/a 0.103n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347761
PNG
(CHEM-US-00178 | US9790217, 83)
Show SMILES O=c1ccn(Cc2ccccc2-c2[nH]ncc2Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-5-7-19(8-6-16)28-21-14-24-25-22(21)20-4-2-1-3-17(20)15-26-11-9-18(27)10-12-26/h1-12,14H,15H2,(H,24,25)
PDB

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n/an/an/an/a 0.321n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347766
PNG
((rac)-3-Fluoro-4-[[5-[1-(1-methylpyrazole-4-carbon...)
Show SMILES Cn1cc(cn1)C(=O)N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1F)C#N
Show InChI InChI=1S/C20H19FN6O2/c1-26-11-15(9-24-26)20(28)27-6-2-3-14(12-27)19-18(10-23-25-19)29-17-5-4-13(8-22)7-16(17)21/h4-5,7,9-11,14H,2-3,6,12H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 0.231n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347684
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-[2- (...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H15ClF3NO3/c1-23(2)11-16(25-13-9-7-12(19)8-10-13)17(24)14-5-3-4-6-15(14)26-18(20,21)22/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.861n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347687
PNG
((E)-1-(5-Chloro-2-methoxy- phenyl)-2-(4-chlorophen...)
Show SMILES COc1ccc(Cl)cc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C
Show InChI InChI=1S/C18H17Cl2NO3/c1-21(2)11-17(24-14-7-4-12(19)5-8-14)18(22)15-10-13(20)6-9-16(15)23-3/h4-11H,1-3H3/b17-11+
PDB

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n/an/an/an/a 0.835n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347688
PNG
((E)-1-(4-Chloro-2-fluoro-phenyl)-2- (4-chloropheno...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-16(23-13-6-3-11(18)4-7-13)17(22)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.0460n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347691
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-[4- (...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3NO2/c1-23(2)11-16(25-15-9-7-14(19)8-10-15)17(24)12-3-5-13(6-4-12)18(20,21)22/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 2.67n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347693
PNG
((E)-3-(Dimethylamino)-1-(4- methylsulfonylphenyl)-...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C(F)(F)F)C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18F3NO4S/c1-23(2)12-17(27-15-8-6-14(7-9-15)19(20,21)22)18(24)13-4-10-16(11-5-13)28(3,25)26/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 1.97n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347695
PNG
(4-[(Z)-2-(Dimethylamino)-1-(4- methylsulfonylbenzo...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-21(2)13-18(25-16-8-4-14(12-20)5-9-16)19(22)15-6-10-17(11-7-15)26(3,23)24/h4-11,13H,1-3H3/b18-13-
PDB

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n/an/an/an/a 0.462n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347697
PNG
((E)-1-(2-Chlorophenyl)-2-[(6- chloro-3-pyridyl)oxy...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)nc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-20(2)10-14(22-11-7-8-15(18)19-9-11)16(21)12-5-3-4-6-13(12)17/h3-10H,1-2H3/b14-10+
PDB

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n/an/an/an/a 0.387n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347698
PNG
((E)-1-(2-Chlorophenyl)-3- (dimethylamino)-2-[(6-me...)
Show SMILES CN(C)\C=C(\Oc1ccc(C)nc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H17ClN2O2/c1-12-8-9-13(10-19-12)22-16(11-20(2)3)17(21)14-6-4-5-7-15(14)18/h4-11H,1-3H3/b16-11+
PDB

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n/an/an/an/a 0.311n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347705
PNG
(4-[(E)-1-(2-Chlorobenzoyl)-2- (dimethylamino)vinyl...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1F)C#N)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-17(18(23)13-5-3-4-6-14(13)19)24-16-8-7-12(10-21)9-15(16)20/h3-9,11H,1-2H3/b17-11+
PDB

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n/an/an/an/a 0.00200n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347705
PNG
(4-[(E)-1-(2-Chlorobenzoyl)-2- (dimethylamino)vinyl...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1F)C#N)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-17(18(23)13-5-3-4-6-14(13)19)24-16-8-7-12(10-21)9-15(16)20/h3-9,11H,1-2H3/b17-11+
PDB

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n/an/an/an/a 0.134n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347707
PNG
(4-[(E)-1-(3-Chloro-2-fluoro- benzoyl)-2- (dimethyl...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(19)17(14)20/h3-9,11H,1-2H3/b16-11+
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347713
PNG
(4-[(Z)-1-(3-Benzyloxybenzoyl)-2- (dimethylamino)vi...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C25H22N2O3/c1-27(2)17-24(30-22-13-11-19(16-26)12-14-22)25(28)21-9-6-10-23(15-21)29-18-20-7-4-3-5-8-20/h3-15,17H,18H2,1-2H3/b24-17-
PDB

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n/an/an/an/a 0.0170n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347714
PNG
(4-[(Z)-1-(2-Chloropyridine-4- carbonyl)-2- (dimeth...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2/c1-21(2)11-15(17(22)13-7-8-20-16(18)9-13)23-14-5-3-12(10-19)4-6-14/h3-9,11H,1-2H3/b15-11-
PDB

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n/an/an/an/a 0.317n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347716
PNG
(Ethyl 2-[(Z)-2-(4-cyanophenoxy)-3- (dimethylamino)...)
Show SMILES CCOC(=O)c1ccccc1C(=O)C(\Oc1ccc(cc1)C#N)=C\N(C)C
Show InChI InChI=1S/C21H20N2O4/c1-4-26-21(25)18-8-6-5-7-17(18)20(24)19(14-23(2)3)27-16-11-9-15(13-22)10-12-16/h5-12,14H,4H2,1-3H3/b19-14-
PDB

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US Patent
n/an/an/an/a 0.0340n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347716
PNG
(Ethyl 2-[(Z)-2-(4-cyanophenoxy)-3- (dimethylamino)...)
Show SMILES CCOC(=O)c1ccccc1C(=O)C(\Oc1ccc(cc1)C#N)=C\N(C)C
Show InChI InChI=1S/C21H20N2O4/c1-4-26-21(25)18-8-6-5-7-17(18)20(24)19(14-23(2)3)27-16-11-9-15(13-22)10-12-16/h5-12,14H,4H2,1-3H3/b19-14-
PDB

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n/an/an/an/a 1.16n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347719
PNG
(5-(2-Chloro-4-methylsulfonylphenyl)-4-(4-chlorophe...)
Show SMILES CS(=O)(=O)c1ccc(-c2[nH]ncc2Oc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O3S/c1-24(21,22)12-6-7-13(14(18)8-12)16-15(9-19-20-16)23-11-4-2-10(17)3-5-11/h2-9H,1H3,(H,19,20)
PDB

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n/an/an/an/a 0.0300n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347725
PNG
(4-[[3-(3-Hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzon...)
Show SMILES Oc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O2/c17-9-11-4-6-14(7-5-11)21-15-10-18-19-16(15)12-2-1-3-13(20)8-12/h1-8,10,20H,(H,18,19)
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347730
PNG
(CHEM-US-00130 | US9790217, 53)
Show SMILES Cn1nncc1COc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N6O2/c1-26-16(11-23-25-26)13-27-18-4-2-3-15(9-18)20-19(12-22-24-20)28-17-7-5-14(10-21)6-8-17/h2-9,11-12H,13H2,1H3,(H,22,24)
PDB

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n/an/an/an/a 0.198n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347731
PNG
(CHEM-US-00131 | US9790217, 54)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3ccncc3)c2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-4-6-19(7-5-16)28-21-14-25-26-22(21)18-2-1-3-20(12-18)27-15-17-8-10-24-11-9-17/h1-12,14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.00400n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347733
PNG
(CHEM-US-00133 | US9790217, 56)
Show SMILES Cn1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C21H17N5O2/c1-26-13-16(11-24-26)14-27-19-4-2-3-17(9-19)21-20(12-23-25-21)28-18-7-5-15(10-22)6-8-18/h2-9,11-13H,14H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 0.0940n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347741
PNG
(4-[[3-(2-Methyl-1,3-thiazol-5-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cc1ncc(s1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C14H10N4OS/c1-9-16-8-13(20-9)14-12(7-17-18-14)19-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,17,18)
PDB

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n/an/an/an/a 0.0690n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347763
PNG
(CHEM-US-00182 | US9790217, 85)
Show SMILES Fc1c(OCc2ccncc2)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H15FN4O2/c23-21-18(2-1-3-19(21)28-14-16-8-10-25-11-9-16)22-20(13-26-27-22)29-17-6-4-15(12-24)5-7-17/h1-11,13H,14H2,(H,26,27)
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347767
PNG
(4-[[3-[3-Chloro-2-[(3-methyltriazol-4-yl)methoxy]p...)
Show SMILES Cn1nncc1COc1c(Cl)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN6O2/c1-27-14(10-24-26-27)12-28-20-16(3-2-4-17(20)21)19-18(11-23-25-19)29-15-7-5-13(9-22)6-8-15/h2-8,10-11H,12H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 0.159n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347679
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-me...)
Show SMILES COc1ccccc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C
Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(23-14-10-8-13(19)9-11-14)18(21)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0.0120n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347709
PNG
(4-[(Z)-1-(3-Chlorobenzoyl)-2- (dimethylamino)vinyl...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H15ClN2O2/c1-21(2)12-17(18(22)14-4-3-5-15(19)10-14)23-16-8-6-13(11-20)7-9-16/h3-10,12H,1-2H3/b17-12-
PDB

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n/an/an/an/a 0.0460n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347711
PNG
((E)-1-(2-Chloro-3-fluoro-phenyl)-2- (4-chloropheno...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-15(23-12-8-6-11(18)7-9-12)17(22)13-4-3-5-14(20)16(13)19/h3-10H,1-2H3/b15-10+
PDB

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n/an/an/an/a 0.262n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347715
PNG
(Methyl 3-[(Z)-2-(4-cyano-2-fluoro- phenoxy)-3-(dim...)
Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1F)C#N)=C\N(C)C
Show InChI InChI=1S/C20H17FN2O4/c1-23(2)12-18(27-17-8-7-13(11-22)9-16(17)21)19(24)14-5-4-6-15(10-14)20(25)26-3/h4-10,12H,1-3H3/b18-12-
PDB

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n/an/an/an/a 0.0320n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347716
PNG
(Ethyl 2-[(Z)-2-(4-cyanophenoxy)-3- (dimethylamino)...)
Show SMILES CCOC(=O)c1ccccc1C(=O)C(\Oc1ccc(cc1)C#N)=C\N(C)C
Show InChI InChI=1S/C21H20N2O4/c1-4-26-21(25)18-8-6-5-7-17(18)20(24)19(14-23(2)3)27-16-11-9-15(13-22)10-12-16/h5-12,14H,4H2,1-3H3/b19-14-
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347721
PNG
(4-[[3-[3-(4-Acetylpiperazine-1-carbonyl)phenyl]-1H...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N5O3/c1-16(29)27-9-11-28(12-10-27)23(30)19-4-2-3-18(13-19)22-21(15-25-26-22)31-20-7-5-17(14-24)6-8-20/h2-8,13,15H,9-12H2,1H3,(H,25,26)
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347723
PNG
(US9790217, 46)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O4S/c1-32(29,30)27-11-9-26(10-12-27)22(28)18-4-2-3-17(13-18)21-20(15-24-25-21)31-19-7-5-16(14-23)6-8-19/h2-8,13,15H,9-12H2,1H3,(H,24,25)
PDB

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n/an/an/an/a 10.7n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347727
PNG
(4-[[3-[3-(Pyridin-2-ylmethoxy)phenyl]-1H-pyrazol-4...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3ccccn3)c2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-7-9-19(10-8-16)28-21-14-25-26-22(21)17-4-3-6-20(12-17)27-15-18-5-1-2-11-24-18/h1-12,14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.0100n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347728
PNG
(US9790217, 51)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3cccnc3)c2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-12-16-6-8-19(9-7-16)28-21-14-25-26-22(21)18-4-1-5-20(11-18)27-15-17-3-2-10-24-13-17/h1-11,13-14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.0510n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347735
PNG
(4-[[5-(3-Butoxyphenyl)-1H-pyrazol-4-yl]oxy]benzoni...)
Show SMILES CCCCOc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H19N3O2/c1-2-3-11-24-18-6-4-5-16(12-18)20-19(14-22-23-20)25-17-9-7-15(13-21)8-10-17/h4-10,12,14H,2-3,11H2,1H3,(H,22,23)
PDB

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n/an/an/an/a 0.0110n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347741
PNG
(4-[[3-(2-Methyl-1,3-thiazol-5-yl)-1H-pyrazol-4-yl]...)
Show SMILES Cc1ncc(s1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C14H10N4OS/c1-9-16-8-13(20-9)14-12(7-17-18-14)19-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,17,18)
PDB

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n/an/an/an/a 2.06n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347743
PNG
(4-[[5-(1-Benzylpyrazol-4-yl)-1H-pyrazol-4-yl]oxy]b...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cnn(Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C20H15N5O/c21-10-15-6-8-18(9-7-15)26-19-12-22-24-20(19)17-11-23-25(14-17)13-16-4-2-1-3-5-16/h1-9,11-12,14H,13H2,(H,22,24)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 0.439n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347754
PNG
(4-[[3-[2-(Pyridin-4-ylmethoxy)phenyl]-1H-pyrazol-4...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccncc2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-5-7-18(8-6-16)28-21-14-25-26-22(21)19-3-1-2-4-20(19)27-15-17-9-11-24-12-10-17/h1-12,14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.00700n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347760
PNG
(CHEM-US-00177 | US9790217, 82)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cccnc2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-12-16-7-9-18(10-8-16)28-21-14-25-26-22(21)19-5-1-2-6-20(19)27-15-17-4-3-11-24-13-17/h1-11,13-14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.520n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347763
PNG
(CHEM-US-00182 | US9790217, 85)
Show SMILES Fc1c(OCc2ccncc2)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H15FN4O2/c23-21-18(2-1-3-19(21)28-14-16-8-10-25-11-9-16)22-20(13-26-27-22)29-17-6-4-15(12-24)5-7-17/h1-11,13H,14H2,(H,26,27)
PDB

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n/an/an/an/a 0.00500n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347766
PNG
((rac)-3-Fluoro-4-[[5-[1-(1-methylpyrazole-4-carbon...)
Show SMILES Cn1cc(cn1)C(=O)N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1F)C#N
Show InChI InChI=1S/C20H19FN6O2/c1-26-11-15(9-24-26)20(28)27-6-2-3-14(12-27)19-18(10-23-25-19)29-17-5-4-13(8-22)7-16(17)21/h4-5,7,9-11,14H,2-3,6,12H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 7.76n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347685
PNG
((E)-2-(4-Chlorophenoxy)-1-[2- (difluoromethoxy)phe...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C18H16ClF2NO3/c1-22(2)11-16(24-13-9-7-12(19)8-10-13)17(23)14-5-3-4-6-15(14)25-18(20)21/h3-11,18H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.00400n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347690
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-[2-fl...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NO2/c1-24(2)10-16(26-13-6-4-12(19)5-7-13)17(25)14-8-3-11(9-15(14)20)18(21,22)23/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.408n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347691
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-[4- (...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3NO2/c1-23(2)11-16(25-15-9-7-14(19)8-10-15)17(24)12-3-5-13(6-4-12)18(20,21)22/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 2.03n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347693
PNG
((E)-3-(Dimethylamino)-1-(4- methylsulfonylphenyl)-...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C(F)(F)F)C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18F3NO4S/c1-23(2)12-17(27-15-8-6-14(7-9-15)19(20,21)22)18(24)13-4-10-16(11-5-13)28(3,25)26/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0.0850n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347701
PNG
((E)-1-(2-Chlorophenyl)-3- (dimethylamino)-2-[4- (t...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C(F)(F)F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H15ClF3NO2/c1-23(2)11-16(17(24)14-5-3-4-6-15(14)19)25-13-9-7-12(8-10-13)18(20,21)22/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.723n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347703
PNG
((E)-1-[(2-Chlorobenzoyl)-2- (dimethylamino)vinylox...)
Show SMILES CN(C)C(=C\OC1(CC=CC=C1)C#N)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O2/c1-21(2)16(17(22)14-8-4-5-9-15(14)19)12-23-18(13-20)10-6-3-7-11-18/h3-10,12H,11H2,1-2H3/b16-12+
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347703
PNG
((E)-1-[(2-Chlorobenzoyl)-2- (dimethylamino)vinylox...)
Show SMILES CN(C)C(=C\OC1(CC=CC=C1)C#N)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O2/c1-21(2)16(17(22)14-8-4-5-9-15(14)19)12-23-18(13-20)10-6-3-7-11-18/h3-10,12H,11H2,1-2H3/b16-12+
PDB

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n/an/an/an/a 0.0180n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347704
PNG
((E)-1-(4-Chloro-2-fluoro-phenyl)-3- (dimethylamino...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C(F)(F)F)C(=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H14ClF4NO2/c1-24(2)10-16(17(25)14-8-5-12(19)9-15(14)20)26-13-6-3-11(4-7-13)18(21,22)23/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.575n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347708
PNG
((E)-1-(3-Chloro-2-fluoro-phenyl)-2- (4-chloropheno...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-15(23-12-8-6-11(18)7-9-12)17(22)13-4-3-5-14(19)16(13)20/h3-10H,1-2H3/b15-10+
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347708
PNG
((E)-1-(3-Chloro-2-fluoro-phenyl)-2- (4-chloropheno...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-15(23-12-8-6-11(18)7-9-12)17(22)13-4-3-5-14(19)16(13)20/h3-10H,1-2H3/b15-10+
PDB

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n/an/an/an/a 1.82n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347718
PNG
(4-[(Z)-1-(2-Benzyloxybenzoyl)-2- (dimethylamino)vi...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-27(2)17-24(30-21-14-12-19(16-26)13-15-21)25(28)22-10-6-7-11-23(22)29-18-20-8-4-3-5-9-20/h3-15,17H,18H2,1-2H3/b24-17-
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347719
PNG
(5-(2-Chloro-4-methylsulfonylphenyl)-4-(4-chlorophe...)
Show SMILES CS(=O)(=O)c1ccc(-c2[nH]ncc2Oc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N2O3S/c1-24(21,22)12-6-7-13(14(18)8-12)16-15(9-19-20-16)23-11-4-2-10(17)3-5-11/h2-9H,1H3,(H,19,20)
PDB

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n/an/an/an/a 0.345n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347720
PNG
(4-[[5-(2-Chloro-4-methylsulfonylphenyl)-1H-pyrazol...)
Show SMILES CS(=O)(=O)c1ccc(-c2[nH]ncc2Oc2ccc(cc2)C#N)c(Cl)c1
Show InChI InChI=1S/C17H12ClN3O3S/c1-25(22,23)13-6-7-14(15(18)8-13)17-16(10-20-21-17)24-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21)
PDB

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n/an/an/an/a 0.558n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347724
PNG
(CHEM-US-00117 | US9790217, 47)
Show SMILES OCC1CN(C1)C(=O)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O3/c22-9-14-4-6-18(7-5-14)28-19-10-23-24-20(19)16-2-1-3-17(8-16)21(27)25-11-15(12-25)13-26/h1-8,10,15,26H,11-13H2,(H,23,24)
PDB

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n/an/an/an/a 0.159n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347729
PNG
(CHEM-US-00129 | US9790217, 52)
Show SMILES Cc1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)on1
Show InChI InChI=1S/C21H16N4O3/c1-14-9-19(28-25-14)13-26-18-4-2-3-16(10-18)21-20(12-23-24-21)27-17-7-5-15(11-22)6-8-17/h2-10,12H,13H2,1H3,(H,23,24)
PDB

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n/an/an/an/a 0.0150n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347729
PNG
(CHEM-US-00129 | US9790217, 52)
Show SMILES Cc1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)on1
Show InChI InChI=1S/C21H16N4O3/c1-14-9-19(28-25-14)13-26-18-4-2-3-16(10-18)21-20(12-23-24-21)27-17-7-5-15(11-22)6-8-17/h2-10,12H,13H2,1H3,(H,23,24)
PDB

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n/an/an/an/a 0.0320n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347732
PNG
(CHEM-US-00132 | US9790217, 55)
Show SMILES Clc1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)ccn1
Show InChI InChI=1S/C22H15ClN4O2/c23-21-10-16(8-9-25-21)14-28-19-3-1-2-17(11-19)22-20(13-26-27-22)29-18-6-4-15(12-24)5-7-18/h1-11,13H,14H2,(H,26,27)
PDB

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n/an/an/an/a 0.0330n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347736
PNG
(4-[[3-[2-(2-Methoxyphenyl)ethyl]-1H-pyrazol-4-yl]o...)
Show SMILES COc1ccccc1CCc1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N3O2/c1-23-18-5-3-2-4-15(18)8-11-17-19(13-21-22-17)24-16-9-6-14(12-20)7-10-16/h2-7,9-10,13H,8,11H2,1H3,(H,21,22)
PDB

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n/an/an/an/a 0.0540n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347738
PNG
((rac)-4-[[3-[1-(1-Methylpyrazole-4-carbonyl)piperi...)
Show SMILES Cn1cc(cn1)C(=O)N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H20N6O2/c1-25-12-16(10-23-25)20(27)26-8-2-3-15(13-26)19-18(11-22-24-19)28-17-6-4-14(9-21)5-7-17/h4-7,10-12,15H,2-3,8,13H2,1H3,(H,22,24)
PDB

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UniChem
US Patent
n/an/an/an/a 0.150n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347738
PNG
((rac)-4-[[3-[1-(1-Methylpyrazole-4-carbonyl)piperi...)
Show SMILES Cn1cc(cn1)C(=O)N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H20N6O2/c1-25-12-16(10-23-25)20(27)26-8-2-3-15(13-26)19-18(11-22-24-19)28-17-6-4-14(9-21)5-7-17/h4-7,10-12,15H,2-3,8,13H2,1H3,(H,22,24)
PDB

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n/an/an/an/a 6.47n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347743
PNG
(4-[[5-(1-Benzylpyrazol-4-yl)-1H-pyrazol-4-yl]oxy]b...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cnn(Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C20H15N5O/c21-10-15-6-8-18(9-7-15)26-19-12-22-24-20(19)17-11-23-25(14-17)13-16-4-2-1-3-5-16/h1-9,11-12,14H,13H2,(H,22,24)
PDB

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n/an/an/an/a 2.40n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347748
PNG
(CHEM-US-00163 | US9790217, 71)
Show SMILES [O-]c1ccc[n+](Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C22H16N4O2/c23-12-16-6-8-20(9-7-16)28-21-13-24-25-22(21)18-4-1-3-17(11-18)14-26-10-2-5-19(27)15-26/h1-11,13,15H,14H2,(H-,24,25,27)
PDB

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n/an/an/an/a 0.656n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347754
PNG
(4-[[3-[2-(Pyridin-4-ylmethoxy)phenyl]-1H-pyrazol-4...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccncc2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-5-7-18(8-6-16)28-21-14-25-26-22(21)19-3-1-2-4-20(19)27-15-17-9-11-24-12-10-17/h1-12,14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347756
PNG
(CHEM-US-00173 | US9790217, 78)
Show SMILES Oc1ccccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O2/c17-9-11-5-7-12(8-6-11)21-15-10-18-19-16(15)13-3-1-2-4-14(13)20/h1-8,10,20H,(H,18,19)
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347757
PNG
(CHEM-US-00174 | US9790217, 79)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccccn2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-8-10-18(11-9-16)28-21-14-25-26-22(21)19-6-1-2-7-20(19)27-15-17-5-3-4-12-24-17/h1-12,14H,15H2,(H,25,26)
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347764
PNG
(CHEM-US-00183 | US9790217, 86)
Show SMILES Fc1c(OCc2ccc(Cl)nc2)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H14ClFN4O2/c23-20-9-6-15(11-26-20)13-29-18-3-1-2-17(21(18)24)22-19(12-27-28-22)30-16-7-4-14(10-25)5-8-16/h1-9,11-12H,13H2,(H,27,28)
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347768
PNG
((rac)-3-Fluoro-4-[[3-[1-(pyridine-3-carbonyl)piper...)
Show SMILES Fc1cc(ccc1Oc1cn[nH]c1C1CCCN(C1)C(=O)c1cccnc1)C#N
Show InChI InChI=1S/C21H18FN5O2/c22-17-9-14(10-23)5-6-18(17)29-19-12-25-26-20(19)16-4-2-8-27(13-16)21(28)15-3-1-7-24-11-15/h1,3,5-7,9,11-12,16H,2,4,8,13H2,(H,25,26)
PDB

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n/an/an/an/a 9.01n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347661
PNG
(4-(4-Chlorophenoxy)-5-(2,3-difluorophenyl)-1H-pyra...)
Show SMILES Fc1cccc(-c2[nH]ncc2Oc2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C15H9ClF2N2O/c16-9-4-6-10(7-5-9)21-13-8-19-20-15(13)11-2-1-3-12(17)14(11)18/h1-8H,(H,19,20)
PDB

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n/an/an/an/a 0.0300n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347681
PNG
((E)-2-(4-Chlorophenoxy)-1-(2- chlorophenyl)-3-(dim...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H15Cl2NO2/c1-20(2)11-16(22-13-9-7-12(18)8-10-13)17(21)14-5-3-4-6-15(14)19/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.0520n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347689
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(4- m...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18ClNO4S/c1-20(2)12-17(24-15-8-6-14(19)7-9-15)18(21)13-4-10-16(11-5-13)25(3,22)23/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0.0260n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347692
PNG
((E)-2-(4-Chlorophenoxy)-1-(2,4- difluorophenyl)-3-...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C17H14ClF2NO2/c1-21(2)10-16(23-13-6-3-11(18)4-7-13)17(22)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.159n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347694
PNG
((E)-1-(2-Chloro-4-methylsulfanyl- phenyl)-2-(4-chl...)
Show SMILES CSc1ccc(C(=O)C(\Oc2ccc(Cl)cc2)=C/N(C)C)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2NO2S/c1-21(2)11-17(23-13-6-4-12(19)5-7-13)18(22)15-9-8-14(24-3)10-16(15)20/h4-11H,1-3H3/b17-11+
PDB

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n/an/an/an/a 0.0610n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347702
PNG
((E)-2-(4-Chloro-2-fluoro-phenoxy)- 1-(2-chlorophen...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-16(17(22)12-5-3-4-6-13(12)19)23-15-8-7-11(18)9-14(15)20/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.350n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347711
PNG
((E)-1-(2-Chloro-3-fluoro-phenyl)-2- (4-chloropheno...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-15(23-12-8-6-11(18)7-9-12)17(22)13-4-3-5-14(20)16(13)19/h3-10H,1-2H3/b15-10+
PDB

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n/an/an/an/a 0.0390n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347713
PNG
(4-[(Z)-1-(3-Benzyloxybenzoyl)-2- (dimethylamino)vi...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C25H22N2O3/c1-27(2)17-24(30-22-13-11-19(16-26)12-14-22)25(28)21-9-6-10-23(15-21)29-18-20-7-4-3-5-8-20/h3-15,17H,18H2,1-2H3/b24-17-
PDB

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n/an/an/an/a 0.0530n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347714
PNG
(4-[(Z)-1-(2-Chloropyridine-4- carbonyl)-2- (dimeth...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2/c1-21(2)11-15(17(22)13-7-8-20-16(18)9-13)23-14-5-3-12(10-19)4-6-14/h3-9,11H,1-2H3/b15-11-
PDB

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n/an/an/an/a 10.5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347715
PNG
(Methyl 3-[(Z)-2-(4-cyano-2-fluoro- phenoxy)-3-(dim...)
Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1F)C#N)=C\N(C)C
Show InChI InChI=1S/C20H17FN2O4/c1-23(2)12-18(27-17-8-7-13(11-22)9-16(17)21)19(24)14-5-4-6-15(10-14)20(25)26-3/h4-10,12H,1-3H3/b18-12-
PDB

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n/an/an/an/a 0.321n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347716
PNG
(Ethyl 2-[(Z)-2-(4-cyanophenoxy)-3- (dimethylamino)...)
Show SMILES CCOC(=O)c1ccccc1C(=O)C(\Oc1ccc(cc1)C#N)=C\N(C)C
Show InChI InChI=1S/C21H20N2O4/c1-4-26-21(25)18-8-6-5-7-17(18)20(24)19(14-23(2)3)27-16-11-9-15(13-22)10-12-16/h5-12,14H,4H2,1-3H3/b19-14-
PDB

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n/an/an/an/a 1.5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347722
PNG
(US9790217, 45)
Show SMILES O=C(N1CCOCC1)c1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18N4O3/c22-13-15-4-6-18(7-5-15)28-19-14-23-24-20(19)16-2-1-3-17(12-16)21(26)25-8-10-27-11-9-25/h1-7,12,14H,8-11H2,(H,23,24)
PDB

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n/an/an/an/a 0.397n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347731
PNG
(CHEM-US-00131 | US9790217, 54)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(OCc3ccncc3)c2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-4-6-19(7-5-16)28-21-14-25-26-22(21)18-2-1-3-20(12-18)27-15-17-8-10-24-11-9-17/h1-12,14H,15H2,(H,25,26)
PDB

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n/an/an/an/a 0.0460n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347732
PNG
(CHEM-US-00132 | US9790217, 55)
Show SMILES Clc1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)ccn1
Show InChI InChI=1S/C22H15ClN4O2/c23-21-10-16(8-9-25-21)14-28-19-3-1-2-17(11-19)22-20(13-26-27-22)29-18-6-4-15(12-24)5-7-18/h1-11,13H,14H2,(H,26,27)
PDB

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n/an/an/an/a 0.288n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347734
PNG
((rac)-4-[[3-[3-(1-Acetylpyrrolidin-3-yl)oxyphenyl]...)
Show SMILES CC(=O)N1CCC(C1)Oc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N4O3/c1-15(27)26-10-9-20(14-26)28-19-4-2-3-17(11-19)22-21(13-24-25-22)29-18-7-5-16(12-23)6-8-18/h2-8,11,13,20H,9-10,14H2,1H3,(H,24,25)
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n/an/an/an/a 1.51n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347735
PNG
(4-[[5-(3-Butoxyphenyl)-1H-pyrazol-4-yl]oxy]benzoni...)
Show SMILES CCCCOc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H19N3O2/c1-2-3-11-24-18-6-4-5-16(12-18)20-19(14-22-23-20)25-17-9-7-15(13-21)8-10-17/h4-10,12,14H,2-3,11H2,1H3,(H,22,23)
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n/an/an/an/a 0.102n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347739
PNG
((rac)-4-[[3-[1-(Pyridine-3-carbonyl)piperidin-3-yl...)
Show SMILES O=C(N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C21H19N5O2/c22-11-15-5-7-18(8-6-15)28-19-13-24-25-20(19)17-4-2-10-26(14-17)21(27)16-3-1-9-23-12-16/h1,3,5-9,12-13,17H,2,4,10,14H2,(H,24,25)
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n/an/an/an/a 8.16n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347750
PNG
(CHEM-US-00164 | US9790217, 72)
Show SMILES O=c1ccn(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-4-6-20(7-5-16)28-21-14-24-25-22(21)18-3-1-2-17(12-18)15-26-10-8-19(27)9-11-26/h1-12,14H,15H2,(H,24,25)
PDB

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n/an/an/an/a 1.63n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347758
PNG
(CHEM-US-00175 | US9790217, 80)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cn[nH]c2)cc1
Show InChI InChI=1S/C20H15N5O2/c21-9-14-5-7-16(8-6-14)27-19-12-24-25-20(19)17-3-1-2-4-18(17)26-13-15-10-22-23-11-15/h1-8,10-12H,13H2,(H,22,23)(H,24,25)
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347762
PNG
(4-[[3-(2-Fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]o...)
Show SMILES Oc1cccc(-c2[nH]ncc2Oc2ccc(cc2)C#N)c1F
Show InChI InChI=1S/C16H10FN3O2/c17-15-12(2-1-3-13(15)21)16-14(9-19-20-16)22-11-6-4-10(8-18)5-7-11/h1-7,9,21H,(H,19,20)
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347762
PNG
(4-[[3-(2-Fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]o...)
Show SMILES Oc1cccc(-c2[nH]ncc2Oc2ccc(cc2)C#N)c1F
Show InChI InChI=1S/C16H10FN3O2/c17-15-12(2-1-3-13(15)21)16-14(9-19-20-16)22-11-6-4-10(8-18)5-7-11/h1-7,9,21H,(H,19,20)
PDB

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n/an/an/an/a 0.0170n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347765
PNG
(4-[[5-[[4-(1-Methylpyrazole-4-carbonyl)piperazin-1...)
Show SMILES Cn1cc(cn1)C(=O)N1CCN(Cc2[nH]ncc2Oc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C20H21N7O2/c1-25-13-16(11-23-25)20(28)27-8-6-26(7-9-27)14-18-19(12-22-24-18)29-17-4-2-15(10-21)3-5-17/h2-5,11-13H,6-9,14H2,1H3,(H,22,24)
PDB

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n/an/an/an/a 0.147n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347765
PNG
(4-[[5-[[4-(1-Methylpyrazole-4-carbonyl)piperazin-1...)
Show SMILES Cn1cc(cn1)C(=O)N1CCN(Cc2[nH]ncc2Oc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C20H21N7O2/c1-25-13-16(11-23-25)20(28)27-8-6-26(7-9-27)14-18-19(12-22-24-18)29-17-4-2-15(10-21)3-5-17/h2-5,11-13H,6-9,14H2,1H3,(H,22,24)
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n/an/an/an/a 25.9n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347768
PNG
((rac)-3-Fluoro-4-[[3-[1-(pyridine-3-carbonyl)piper...)
Show SMILES Fc1cc(ccc1Oc1cn[nH]c1C1CCCN(C1)C(=O)c1cccnc1)C#N
Show InChI InChI=1S/C21H18FN5O2/c22-17-9-14(10-23)5-6-18(17)29-19-12-25-26-20(19)16-4-2-8-27(13-16)21(28)15-3-1-7-24-11-15/h1,3,5-7,9,11-12,16H,2,4,8,13H2,(H,25,26)
PDB

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n/an/an/an/a 1.26n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347677
PNG
((E)-1-(4-Chlorophenyl)-3- (dimethylamino)-2-(4- me...)
Show SMILES COc1ccc(O\C(=C\N(C)C)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(18(21)13-4-6-14(19)7-5-13)23-16-10-8-15(22-3)9-11-16/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 1.97n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347678
PNG
((E)-2-(4-Chlorophenoxy)-1-(4- chlorophenyl)-3-(dim...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl2NO2/c1-20(2)11-16(22-15-9-7-14(19)8-10-15)17(21)12-3-5-13(18)6-4-12/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.323n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347689
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(4- m...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H18ClNO4S/c1-20(2)12-17(24-15-8-6-14(19)7-9-15)18(21)13-4-10-16(11-5-13)25(3,22)23/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0.600n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347695
PNG
(4-[(Z)-2-(Dimethylamino)-1-(4- methylsulfonylbenzo...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-21(2)13-18(25-16-8-4-14(12-20)5-9-16)19(22)15-6-10-17(11-7-15)26(3,23)24/h4-11,13H,1-3H3/b18-13-
PDB

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n/an/an/an/a 0.0240n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347697
PNG
((E)-1-(2-Chlorophenyl)-2-[(6- chloro-3-pyridyl)oxy...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)nc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-20(2)10-14(22-11-7-8-15(18)19-9-11)16(21)12-5-3-4-6-13(12)17/h3-10H,1-2H3/b14-10+
PDB

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n/an/an/an/a 0.113n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347698
PNG
((E)-1-(2-Chlorophenyl)-3- (dimethylamino)-2-[(6-me...)
Show SMILES CN(C)\C=C(\Oc1ccc(C)nc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H17ClN2O2/c1-12-8-9-13(10-19-12)22-16(11-20(2)3)17(21)14-6-4-5-7-15(14)18/h4-11H,1-3H3/b16-11+
PDB

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n/an/an/an/a 3.39n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347699
PNG
((E)-1-(2,4-Dichlorophenyl)-3- (dimethylamino)-2-[(...)
Show SMILES CN(C)\C=C(\Oc1cccc(F)n1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2FN2O2/c1-21(2)9-13(23-15-5-3-4-14(19)20-15)16(22)11-7-6-10(17)8-12(11)18/h3-9H,1-2H3/b13-9+
PDB

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n/an/an/an/a 0.842n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347700
PNG
((E)-1-(2,4-Dichlorophenyl)-3- (dimethylamino)-2-[(...)
Show SMILES CN(C)\C=C(\Oc1cccc(C)n1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H16Cl2N2O2/c1-11-5-4-6-16(20-11)23-15(10-21(2)3)17(22)13-8-7-12(18)9-14(13)19/h4-10H,1-3H3/b15-10+
PDB

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n/an/an/an/a 0.611n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347702
PNG
((E)-2-(4-Chloro-2-fluoro-phenoxy)- 1-(2-chlorophen...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-16(17(22)12-5-3-4-6-13(12)19)23-15-8-7-11(18)9-14(15)20/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.0100n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347710
PNG
(Methyl 3-[(E)-2-(4-cyanophenoxy)- 3-(dimethylamino...)
Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1)C#N)=C/N(C)C
Show InChI InChI=1S/C20H18N2O4/c1-22(2)13-18(26-17-9-7-14(12-21)8-10-17)19(23)15-5-4-6-16(11-15)20(24)25-3/h4-11,13H,1-3H3/b18-13+
PDB

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n/an/an/an/a 0.0180n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347725
PNG
(4-[[3-(3-Hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzon...)
Show SMILES Oc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O2/c17-9-11-4-6-14(7-5-11)21-15-10-18-19-16(15)12-2-1-3-13(20)8-12/h1-8,10,20H,(H,18,19)
PDB

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n/an/an/an/a 0.0200n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347730
PNG
(CHEM-US-00130 | US9790217, 53)
Show SMILES Cn1nncc1COc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N6O2/c1-26-16(11-23-25-26)13-27-18-4-2-3-15(9-18)20-19(12-22-24-20)28-17-7-5-14(10-21)6-8-17/h2-9,11-12H,13H2,1H3,(H,22,24)
PDB

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n/an/an/an/a 0.0240n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347733
PNG
(CHEM-US-00133 | US9790217, 56)
Show SMILES Cn1cc(COc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C21H17N5O2/c1-26-13-16(11-24-26)14-27-19-4-2-3-17(9-19)21-20(12-23-25-21)28-18-7-5-15(10-22)6-8-18/h2-9,11-13H,14H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 0.00900n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347734
PNG
((rac)-4-[[3-[3-(1-Acetylpyrrolidin-3-yl)oxyphenyl]...)
Show SMILES CC(=O)N1CCC(C1)Oc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N4O3/c1-15(27)26-10-9-20(14-26)28-19-4-2-3-17(11-19)22-21(13-24-25-22)29-18-7-5-16(12-23)6-8-18/h2-8,11,13,20H,9-10,14H2,1H3,(H,24,25)
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n/an/an/an/a 0.215n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347744
PNG
(4-[[3-[3-[(6-Fluoropyridin-2-yl)oxymethyl]phenyl]-...)
Show SMILES Fc1cccc(OCc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C22H15FN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,13H,14H2,(H,25,27)
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n/an/an/an/a 0.0480n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347745
PNG
(CHEM-US-00162 | US9790217, 70)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(COc3cccnn3)c2)cc1
Show InChI InChI=1S/C21H15N5O2/c22-12-15-6-8-18(9-7-15)28-19-13-24-26-21(19)17-4-1-3-16(11-17)14-27-20-5-2-10-23-25-20/h1-11,13H,14H2,(H,24,26)
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n/an/an/an/a 0.0110n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347745
PNG
(CHEM-US-00162 | US9790217, 70)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(COc3cccnn3)c2)cc1
Show InChI InChI=1S/C21H15N5O2/c22-12-15-6-8-18(9-7-15)28-19-13-24-26-21(19)17-4-1-3-16(11-17)14-27-20-5-2-10-23-25-20/h1-11,13H,14H2,(H,24,26)
PDB

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n/an/an/an/a 0.0380n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347752
PNG
(4-[[3-[3-[[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl...)
Show SMILES OCC1(F)CN(Cc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H19FN4O2/c22-21(14-27)12-26(13-21)11-16-2-1-3-17(8-16)20-19(10-24-25-20)28-18-6-4-15(9-23)5-7-18/h1-8,10,27H,11-14H2,(H,24,25)
PDB

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n/an/an/an/a 0.0360n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347755
PNG
(CHEM-US-00172 | US9790217, 77)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccnnc2)cc1
Show InChI InChI=1S/C21H15N5O2/c22-11-15-5-7-17(8-6-15)28-20-13-25-26-21(20)18-3-1-2-4-19(18)27-14-16-9-10-23-24-12-16/h1-10,12-13H,14H2,(H,25,26)
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347767
PNG
(4-[[3-[3-Chloro-2-[(3-methyltriazol-4-yl)methoxy]p...)
Show SMILES Cn1nncc1COc1c(Cl)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H15ClN6O2/c1-27-14(10-24-26-27)12-28-20-16(3-2-4-17(20)21)19-18(11-23-25-19)29-15-7-5-13(9-22)6-8-15/h2-8,10-11H,12H2,1H3,(H,23,25)
PDB

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n/an/an/an/a 1.58n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347678
PNG
((E)-2-(4-Chlorophenoxy)-1-(4- chlorophenyl)-3-(dim...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl2NO2/c1-20(2)11-16(22-15-9-7-14(19)8-10-15)17(21)12-3-5-13(18)6-4-12/h3-11H,1-2H3/b16-11+
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n/an/an/an/a 1.38n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347684
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-[2- (...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H15ClF3NO3/c1-23(2)11-16(25-13-9-7-12(19)8-10-13)17(24)14-5-3-4-6-15(14)26-18(20,21)22/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.0240n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347686
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-fl...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H15ClFNO2/c1-20(2)11-16(22-13-9-7-12(18)8-10-13)17(21)14-5-3-4-6-15(14)19/h3-11H,1-2H3/b16-11+
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347687
PNG
((E)-1-(5-Chloro-2-methoxy- phenyl)-2-(4-chlorophen...)
Show SMILES COc1ccc(Cl)cc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C
Show InChI InChI=1S/C18H17Cl2NO3/c1-21(2)11-17(24-14-7-4-12(19)5-8-14)18(22)15-10-13(20)6-9-16(15)23-3/h4-11H,1-3H3/b17-11+
PDB

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n/an/an/an/a 0.0610n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347688
PNG
((E)-1-(4-Chloro-2-fluoro-phenyl)-2- (4-chloropheno...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C17H14Cl2FNO2/c1-21(2)10-16(23-13-6-3-11(18)4-7-13)17(22)14-8-5-12(19)9-15(14)20/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 0.433n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347690
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-[2-fl...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NO2/c1-24(2)10-16(26-13-6-4-12(19)5-7-13)17(25)14-8-3-11(9-15(14)20)18(21,22)23/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 2.47n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347701
PNG
((E)-1-(2-Chlorophenyl)-3- (dimethylamino)-2-[4- (t...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C(F)(F)F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H15ClF3NO2/c1-23(2)11-16(17(24)14-5-3-4-6-15(14)19)25-13-9-7-12(8-10-13)18(20,21)22/h3-11H,1-2H3/b16-11+
PDB

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n/an/an/an/a 0.0270n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347704
PNG
((E)-1-(4-Chloro-2-fluoro-phenyl)-3- (dimethylamino...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C(F)(F)F)C(=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H14ClF4NO2/c1-24(2)10-16(17(25)14-8-5-12(19)9-15(14)20)26-13-6-3-11(4-7-13)18(21,22)23/h3-10H,1-2H3/b16-10+
PDB

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n/an/an/an/a 3.32n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347707
PNG
(4-[(E)-1-(3-Chloro-2-fluoro- benzoyl)-2- (dimethyl...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(19)17(14)20/h3-9,11H,1-2H3/b16-11+
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347709
PNG
(4-[(Z)-1-(3-Chlorobenzoyl)-2- (dimethylamino)vinyl...)
Show SMILES CN(C)\C=C(/Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H15ClN2O2/c1-21(2)12-17(18(22)14-4-3-5-15(19)10-14)23-16-8-6-13(11-20)7-9-16/h3-10,12H,1-2H3/b17-12-
PDB

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n/an/an/an/a 0.542n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347720
PNG
(4-[[5-(2-Chloro-4-methylsulfonylphenyl)-1H-pyrazol...)
Show SMILES CS(=O)(=O)c1ccc(-c2[nH]ncc2Oc2ccc(cc2)C#N)c(Cl)c1
Show InChI InChI=1S/C17H12ClN3O3S/c1-25(22,23)13-6-7-14(15(18)8-13)17-16(10-20-21-17)24-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21)
PDB

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n/an/an/an/a 0.0420n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347726
PNG
(4-[[3-[3-(Hydroxymethyl)phenyl]-1H-pyrazol-4-yl]ox...)
Show SMILES OCc1cccc(c1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H13N3O2/c18-9-12-4-6-15(7-5-12)22-16-10-19-20-17(16)14-3-1-2-13(8-14)11-21/h1-8,10,21H,11H2,(H,19,20)
PDB

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n/an/an/an/a 0.0130n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347737
PNG
((rac)-4-[[3-(1-Acetylpiperidin-3-yl)-1H-pyrazol-4-...)
Show SMILES CC(=O)N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H18N4O2/c1-12(22)21-8-2-3-14(11-21)17-16(10-19-20-17)23-15-6-4-13(9-18)5-7-15/h4-7,10,14H,2-3,8,11H2,1H3,(H,19,20)
PDB

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n/an/an/an/a 0.370n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347739
PNG
((rac)-4-[[3-[1-(Pyridine-3-carbonyl)piperidin-3-yl...)
Show SMILES O=C(N1CCCC(C1)c1[nH]ncc1Oc1ccc(cc1)C#N)c1cccnc1
Show InChI InChI=1S/C21H19N5O2/c22-11-15-5-7-18(8-6-15)28-19-13-24-25-20(19)17-4-2-10-26(14-17)21(27)16-3-1-9-23-12-16/h1,3,5-9,12-13,17H,2,4,10,14H2,(H,24,25)
PDB

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n/an/an/an/a 0.405n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347742
PNG
(4-[[3-(1-Methylpyrazol-4-yl)-1H-pyrazol-4-yl]oxy]b...)
Show SMILES Cn1cc(cn1)-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C14H11N5O/c1-19-9-11(7-17-19)14-13(8-16-18-14)20-12-4-2-10(6-15)3-5-12/h2-5,7-9H,1H3,(H,16,18)
PDB

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n/an/an/an/a 3.27n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347751
PNG
(CHEM-US-00165 | US9790217, 73)
Show SMILES Clc1cccc(OCc2cccc(c2)-c2[nH]ncc2Oc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C22H15ClN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,13H,14H2,(H,25,27)
PDB

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n/an/an/an/a 0.411n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347753
PNG
(4-[[3-[3-(Morpholin-4-ylmethyl)phenyl]-1H-pyrazol-...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(CN3CCOCC3)c2)cc1
Show InChI InChI=1S/C21H20N4O2/c22-13-16-4-6-19(7-5-16)27-20-14-23-24-21(20)18-3-1-2-17(12-18)15-25-8-10-26-11-9-25/h1-7,12,14H,8-11,15H2,(H,23,24)
PDB

UniProtKB/SwissProt

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347753
PNG
(4-[[3-[3-(Morpholin-4-ylmethyl)phenyl]-1H-pyrazol-...)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2cccc(CN3CCOCC3)c2)cc1
Show InChI InChI=1S/C21H20N4O2/c22-13-16-4-6-19(7-5-16)27-20-14-23-24-21(20)18-3-1-2-17(12-18)15-25-8-10-26-11-9-25/h1-7,12,14H,8-11,15H2,(H,23,24)
PDB

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n/an/an/an/a 0.139n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347755
PNG
(CHEM-US-00172 | US9790217, 77)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccnnc2)cc1
Show InChI InChI=1S/C21H15N5O2/c22-11-15-5-7-17(8-6-15)28-20-13-25-26-21(20)18-3-1-2-4-19(18)27-14-16-9-10-23-24-12-16/h1-10,12-13H,14H2,(H,25,26)
PDB

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n/an/an/an/a 0.0110n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347758
PNG
(CHEM-US-00175 | US9790217, 80)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cn[nH]c2)cc1
Show InChI InChI=1S/C20H15N5O2/c21-9-14-5-7-16(8-6-14)27-19-12-24-25-20(19)17-3-1-2-4-18(17)26-13-15-10-22-23-11-15/h1-8,10-12H,13H2,(H,22,23)(H,24,25)
PDB

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n/an/an/an/a 0.00700n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347759
PNG
(CHEM-US-00176 | US9790217, 81)
Show SMILES Cn1nncc1COc1ccccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N6O2/c1-26-15(11-23-25-26)13-27-18-5-3-2-4-17(18)20-19(12-22-24-20)28-16-8-6-14(10-21)7-9-16/h2-9,11-12H,13H2,1H3,(H,22,24)
PDB

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US Patent
n/an/an/an/a 0.00300n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347760
PNG
(CHEM-US-00177 | US9790217, 82)
Show SMILES N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cccnc2)cc1
Show InChI InChI=1S/C22H16N4O2/c23-12-16-7-9-18(10-8-16)28-21-14-25-26-22(21)19-5-1-2-6-20(19)27-15-17-4-3-11-24-13-17/h1-11,13-14H,15H2,(H,25,26)
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n/an/an/an/a 4.30n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347761
PNG
(CHEM-US-00178 | US9790217, 83)
Show SMILES O=c1ccn(Cc2ccccc2-c2[nH]ncc2Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H16N4O2/c23-13-16-5-7-19(8-6-16)28-21-14-24-25-22(21)20-4-2-1-3-17(20)15-26-11-9-18(27)10-12-26/h1-12,14H,15H2,(H,24,25)
PDB

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n/an/an/an/a 2.88n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347764
PNG
(CHEM-US-00183 | US9790217, 86)
Show SMILES Fc1c(OCc2ccc(Cl)nc2)cccc1-c1[nH]ncc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C22H14ClFN4O2/c23-20-9-6-15(11-26-20)13-29-18-3-1-2-17(21(18)24)22-19(12-27-28-22)30-16-7-4-14(10-25)5-8-16/h1-9,11-12H,13H2,(H,27,28)
PDB

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n/an/an/an/a 0.00400n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347661
PNG
(4-(4-Chlorophenoxy)-5-(2,3-difluorophenyl)-1H-pyra...)
Show SMILES Fc1cccc(-c2[nH]ncc2Oc2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C15H9ClF2N2O/c16-9-4-6-10(7-5-9)21-13-8-19-20-15(13)11-2-1-3-12(17)14(11)18/h1-8H,(H,19,20)
PDB

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n/an/an/an/a 1.03n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347677
PNG
((E)-1-(4-Chlorophenyl)-3- (dimethylamino)-2-(4- me...)
Show SMILES COc1ccc(O\C(=C\N(C)C)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(18(21)13-4-6-14(19)7-5-13)23-16-10-8-15(22-3)9-11-16/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0.463n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347679
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-me...)
Show SMILES COc1ccccc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C
Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(23-14-10-8-13(19)9-11-14)18(21)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347679
PNG
((E)-2-(4-Chlorophenoxy)-3- (dimethylamino)-1-(2-me...)
Show SMILES COc1ccccc1C(=O)C(\Oc1ccc(Cl)cc1)=C/N(C)C
Show InChI InChI=1S/C18H18ClNO3/c1-20(2)12-17(23-14-10-8-13(19)9-11-14)18(21)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3/b17-12+
PDB

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n/an/an/an/a 0.00100n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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


(Homo sapiens (Human))
BDBM347681
PNG
((E)-2-(4-Chlorophenoxy)-1-(2- chlorophenyl)-3-(dim...)
Show SMILES CN(C)\C=C(\Oc1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H15Cl2NO2/c1-20(2)11-16(22-13-9-7-12(18)8-10-13)17(21)14-5-3-4-6-15(14)19/h3-11H,1-2H3/b16-11+
PDB

UniProtKB/SwissProt

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)

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