BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 53 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 3A' and Substrate = 'US9434724, Midazolam'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247999
PNG
(US9434724, 1)
Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c20-16(14-11-18-15-4-2-1-3-13(14)15)21-12-17-5-8-19(9-6-17)10-7-17/h1-4,11,18H,5-10,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247980
PNG
(US9434724, 83)
Show SMILES Cc1cc(O)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O3/c1-12-8-13(21)9-15-16(12)14(10-19-15)17(22)23-11-18-2-5-20(6-3-18)7-4-18/h8-10,19,21H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248001
PNG
(US9434724, 10 | US9434724, 17)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O3/c1-22-13-2-3-14-15(11-19-16(14)10-13)17(21)23-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248002
PNG
(US9434724, 11)
Show SMILES Fc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19FN2O2/c18-12-1-2-13-14(10-19-15(13)9-12)16(21)22-11-17-3-6-20(7-4-17)8-5-17/h1-2,9-10,19H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248003
PNG
(US9434724, 12)
Show SMILES Fc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C17H19FN2O2/c18-12-1-2-15-13(9-12)14(10-19-15)16(21)22-11-17-3-6-20(7-4-17)8-5-17/h1-2,9-10,19H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248004
PNG
(US9434724, 13)
Show SMILES Fc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19FN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248005
PNG
(US9434724, 14)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H20N2O3/c20-12-1-2-13-14(10-18-15(13)9-12)16(21)22-11-17-3-6-19(7-4-17)8-5-17/h1-2,9-10,18,20H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248006
PNG
(US9434724, 15)
Show SMILES Oc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C17H20N2O3/c20-12-1-2-15-13(9-12)14(10-18-15)16(21)22-11-17-3-6-19(7-4-17)8-5-17/h1-2,9-10,18,20H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248007
PNG
(US9434724, 16)
Show SMILES COc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-13-14(11-19-16(13)15)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248001
PNG
(US9434724, 10 | US9434724, 17)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O3/c1-22-13-2-3-14-15(11-19-16(14)10-13)17(21)23-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248009
PNG
(US9434724, 18)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C18H22N2O3/c1-22-13-2-3-16-14(10-13)15(11-19-16)17(21)23-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248010
PNG
(US9434724, 19)
Show SMILES Cc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O2/c1-13-3-2-4-14-15(11-19-16(13)14)17(21)22-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248011
PNG
(US9434724, 20)
Show SMILES Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C18H22N2O2/c1-13-2-3-16-14(10-13)15(11-19-16)17(21)22-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247958
PNG
(US9434724, 21)
Show SMILES Cc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O2/c1-13-3-2-4-15-16(13)14(11-19-15)17(21)22-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248012
PNG
(US9434724, 22)
Show SMILES Brc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19BrN2O2/c18-12-1-2-13-14(10-19-15(13)9-12)16(21)22-11-17-3-6-20(7-4-17)8-5-17/h1-2,9-10,19H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248013
PNG
(US9434724, 23)
Show SMILES Brc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C17H19BrN2O2/c18-12-1-2-15-13(9-12)14(10-19-15)16(21)22-11-17-3-6-20(7-4-17)8-5-17/h1-2,9-10,19H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247959
PNG
(US9434724, 24)
Show SMILES Brc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19BrN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248014
PNG
(US9434724, 25)
Show SMILES Clc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19ClN2O2/c18-14-3-1-2-12-13(10-19-15(12)14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248015
PNG
(US9434724, 26)
Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19ClN2O2/c18-12-1-2-13-14(10-19-15(13)9-12)16(21)22-11-17-3-6-20(7-4-17)8-5-17/h1-2,9-10,19H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248000
PNG
(US9434724, 2 | US9434724, 27)
Show SMILES Clc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C17H19ClN2O2/c18-12-1-2-15-13(9-12)14(10-19-15)16(21)22-11-17-3-6-20(7-4-17)8-5-17/h1-2,9-10,19H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248017
PNG
(US9434724, 28)
Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(ccc12)C#N
Show InChI InChI=1S/C18H19N3O2/c19-10-13-1-2-14-15(11-20-16(14)9-13)17(22)23-12-18-3-6-21(7-4-18)8-5-18/h1-2,9,11,20H,3-8,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248018
PNG
(US9434724, 29)
Show SMILES FC(F)(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H19F3N2O3/c19-18(20,21)26-12-1-2-13-14(10-22-15(13)9-12)16(24)25-11-17-3-6-23(7-4-17)8-5-17/h1-2,9-10,22H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248019
PNG
(US9434724, 30)
Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12
Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248020
PNG
(US9434724, 31)
Show SMILES FC(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20F2N2O3/c19-17(20)25-12-1-2-13-14(10-21-15(13)9-12)16(23)24-11-18-3-6-22(7-4-18)8-5-18/h1-2,9-10,17,21H,3-8,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248021
PNG
(US9434724, 32)
Show SMILES COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F
Show InChI InChI=1S/C18H21FN2O3/c1-23-16-9-15-12(8-14(16)19)13(10-20-15)17(22)24-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248022
PNG
(US9434724, 33)
Show SMILES COc1cc(F)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H21FN2O3/c1-23-12-8-14(19)16-13(10-20-15(16)9-12)17(22)24-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247960
PNG
(US9434724, 34)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C
Show InChI InChI=1S/C19H24N2O3/c1-13-16(23-2)4-3-15-17(13)14(11-20-15)18(22)24-12-19-5-8-21(9-6-19)10-7-19/h3-4,11,20H,5-10,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247988
PNG
(US9434724, 35)
Show SMILES Clc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19ClN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248023
PNG
(US9434724, 36)
Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247961
PNG
(US9434724, 37)
Show SMILES COc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C19H24N2O3/c1-13-9-14(23-2)10-16-17(13)15(11-20-16)18(22)24-12-19-3-6-21(7-4-19)8-5-19/h9-11,20H,3-8,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247989
PNG
(US9434724, 38)
Show SMILES COc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H21ClN2O3/c1-23-12-8-14(19)16-13(10-20-15(16)9-12)17(22)24-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248024
PNG
(US9434724, 39)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl
Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247962
PNG
(US9434724, 40)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1OC
Show InChI InChI=1S/C19H24N2O4/c1-23-15-4-3-14-16(17(15)24-2)13(11-20-14)18(22)25-12-19-5-8-21(9-6-19)10-7-19/h3-4,11,20H,5-10,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247963
PNG
(US9434724, 41)
Show SMILES Fc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H18BrFN2O2/c18-13-7-11(19)8-14-15(13)12(9-20-14)16(22)23-10-17-1-4-21(5-2-17)6-3-17/h7-9,20H,1-6,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247964
PNG
(US9434724, 42)
Show SMILES Clc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H18BrClN2O2/c18-13-7-11(19)8-14-15(13)12(9-20-14)16(22)23-10-17-1-4-21(5-2-17)6-3-17/h7-9,20H,1-6,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247965
PNG
(US9434724, 43)
Show SMILES Cc1c(F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H21FN2O2/c1-12-14(19)2-3-15-16(12)13(10-20-15)17(22)23-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247966
PNG
(US9434724, 44)
Show SMILES Cc1cc(F)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H21FN2O2/c1-12-8-13(19)9-15-16(12)14(10-20-15)17(22)23-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248025
PNG
(US9434724, 45)
Show SMILES Cc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O2/c1-13-2-3-14-15(11-19-16(14)10-13)17(21)22-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247990
PNG
(US9434724, 46)
Show SMILES Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19ClN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247967
PNG
(US9434724, 47)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br
Show InChI InChI=1S/C18H21BrN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247968
PNG
(US9434724, 48)
Show SMILES COc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H21BrN2O3/c1-23-12-8-14(19)16-13(10-20-15(16)9-12)17(22)24-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247969
PNG
(US9434724, 49)
Show SMILES Cc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H21BrN2O2/c1-12-8-14(19)16-13(10-20-15(16)9-12)17(22)23-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247970
PNG
(US9434724, 50)
Show SMILES Cc1cc(Cl)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H21ClN2O2/c1-12-8-13(19)9-15-16(12)14(10-20-15)17(22)23-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248026
PNG
(US9434724, 51)
Show SMILES Fc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F
Show InChI InChI=1S/C17H18F2N2O2/c18-13-7-11-12(9-20-15(11)8-14(13)19)16(22)23-10-17-1-4-21(5-2-17)6-3-17/h7-9,20H,1-6,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248027
PNG
(US9434724, 52)
Show SMILES Fc1cc2c(c[nH]c2cc1Cl)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H18ClFN2O2/c18-13-8-15-11(7-14(13)19)12(9-20-15)16(22)23-10-17-1-4-21(5-2-17)6-3-17/h7-9,20H,1-6,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247971
PNG
(US9434724, 53)
Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM247972
PNG
(US9434724, 54)
Show SMILES Cc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C19H24N2O2/c1-13-9-14(2)17-15(11-20-16(17)10-13)18(22)23-12-19-3-6-21(7-4-19)8-5-19/h9-11,20H,3-8,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248028
PNG
(US9434724, 55)
Show SMILES Cc1cc2c(c[nH]c2cc1O)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O3/c1-12-8-13-14(10-19-15(13)9-16(12)21)17(22)23-11-18-2-5-20(6-3-18)7-4-18/h8-10,19,21H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248029
PNG
(US9434724, 56)
Show SMILES COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1C
Show InChI InChI=1S/C19H24N2O3/c1-13-9-14-15(11-20-16(14)10-17(13)23-2)18(22)24-12-19-3-6-21(7-4-19)8-5-19/h9-11,20H,3-8,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM248030
PNG
(US9434724, 57)
Show SMILES COc1cc2c(c[nH]c2cc1F)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H21FN2O3/c1-23-16-8-12-13(10-20-15(12)9-14(16)19)17(22)24-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a37



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...


US Patent US9434724 (2016)


BindingDB Entry DOI: 10.7270/Q2M32TPW
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>
Jump to: