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Compile Data Set for Download or QSAR

Found 9 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 2D6 (2D6)' and Substrate = 'US9487494, AMMC'   
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 2D6 (2D6)


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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PC sid
UniChem

Similars

US Patent
n/an/a 50n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253030
PNG
(US9487494, 127 (Compound 1136))
Show SMILES C[C@@H](N[C@H]1CCC[C@@H](C1)c1ccc(cc1)C(=O)NCCC(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H32N2O3/c1-19(25-11-5-7-21-6-2-3-10-26(21)25)30-24-9-4-8-23(18-24)20-12-14-22(15-13-20)28(33)29-17-16-27(31)32/h2-3,5-7,10-15,19,23-24,30H,4,8-9,16-18H2,1H3,(H,29,33)(H,31,32)/t19-,23+,24+/m1/s1
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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253032
PNG
(US9487494, 53 (Compound 1056))
Show SMILES C[C@@H](NC1CCCC(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H27NO2/c1-17(23-11-5-7-19-6-2-3-10-24(19)23)26-22-9-4-8-21(16-22)18-12-14-20(15-13-18)25(27)28/h2-3,5-7,10-15,17,21-22,26H,4,8-9,16H2,1H3,(H,27,28)/t17-,21?,22?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253031
PNG
(US9487494, 106 (Compound 1115))
Show SMILES C[C@@H](N[C@H]1CCC[C@@H](C1)c1ccc(cc1)C(=O)NCC(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H30N2O3/c1-18(24-11-5-7-20-6-2-3-10-25(20)24)29-23-9-4-8-22(16-23)19-12-14-21(15-13-19)27(32)28-17-26(30)31/h2-3,5-7,10-15,18,22-23,29H,4,8-9,16-17H2,1H3,(H,28,32)(H,30,31)/t18-,22+,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253028
PNG
(US9487494, 137 (Compound 1146))
Show SMILES C[C@@H](N[C@H]1CCC[C@@H](C1)c1ccc(cc1)C(=O)N1CCC(CC1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C31H36N2O3/c1-21(28-11-5-7-23-6-2-3-10-29(23)28)32-27-9-4-8-26(20-27)22-12-14-24(15-13-22)30(34)33-18-16-25(17-19-33)31(35)36/h2-3,5-7,10-15,21,25-27,32H,4,8-9,16-20H2,1H3,(H,35,36)/t21-,26+,27+/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253029
PNG
(US9487494, 133 (Compound 1142))
Show SMILES C[C@@H](N[C@H]1CCC[C@@H](C1)c1ccc(cc1)C(=O)N1CC(C1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C29H32N2O3/c1-19(26-11-5-7-21-6-2-3-10-27(21)26)30-25-9-4-8-23(16-25)20-12-14-22(15-13-20)28(32)31-17-24(18-31)29(33)34/h2-3,5-7,10-15,19,23-25,30H,4,8-9,16-18H2,1H3,(H,33,34)/t19-,23+,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253025
PNG
(US9487494, 171 (Compound 1186))
Show SMILES C[C@@H](N[C@H]1CC[C@H](C1)c1ccc(OCC(O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27NO3/c1-17(23-8-4-6-19-5-2-3-7-24(19)23)26-21-12-9-20(15-21)18-10-13-22(14-11-18)29-16-25(27)28/h2-8,10-11,13-14,17,20-21,26H,9,12,15-16H2,1H3,(H,27,28)/t17-,20-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253026
PNG
(US9487494, 175 (Compound 1190))
Show SMILES C[C@@H](N[C@H]1CC[C@@H](C1)c1ccc(CCC(O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29NO2/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)27-23-15-14-22(17-23)20-12-9-19(10-13-20)11-16-26(28)29/h2-10,12-13,18,22-23,27H,11,14-17H2,1H3,(H,28,29)/t18-,22+,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90E+4n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM253027
PNG
(US9487494, 299 (Compound 1338))
Show SMILES C[C@@H](NC1CCC(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25NO2/c1-16(22-8-4-6-18-5-2-3-7-23(18)22)25-21-14-13-20(15-21)17-9-11-19(12-10-17)24(26)27/h2-12,16,20-21,25H,13-15H2,1H3,(H,26,27)/t16-,20?,21?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+5n/an/an/an/a7.437



LEO PHARMA A/S

US Patent


Assay Description
Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regener...


US Patent US9487494 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CX3
More data for this
Ligand-Target Pair