BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 3A' and Substrate = 'US9266853, 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))
BDBM207975
PNG
(US9266853, 5526064)
Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(O)=O)[C@@](O)(CCOC)C(O)=O
Show InChI InChI=1S/C36H59F2NO8/c1-4-6-8-12-15-22-35(37,38)23-16-13-10-9-11-14-17-30(36(45,34(43)44)24-26-46-3)32(40)39-31(33(41)42)27-28-18-20-29(21-19-28)47-25-7-5-2/h14,17-21,30-32,39-40,45H,4-13,15-16,22-27H2,1-3H3,(H,41,42)(H,43,44)/b17-14+/t30-,31+,32?,36+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.18E+4n/an/an/an/an/a37



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
With Preincubation: To a 96 deep well plate was added 2.5 uL of the test substance solution (x200 concentration), and 442.5 uL of Incubation Mixture,...


US Patent US9266853 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J7G
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM207974
PNG
(US9266853, 5514403)
Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(=O)OC)[C@@](O)(CCOC)C(O)=O
Show InChI InChI=1S/C37H61F2NO8/c1-5-7-9-13-16-23-36(38,39)24-17-14-11-10-12-15-18-31(37(45,35(43)44)25-27-46-3)33(41)40-32(34(42)47-4)28-29-19-21-30(22-20-29)48-26-8-6-2/h15,18-22,31-33,40-41,45H,5-14,16-17,23-28H2,1-4H3,(H,43,44)/b18-15+/t31-,32+,33?,37+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.19E+4n/an/an/an/an/a37



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
With Preincubation: To a 96 deep well plate was added 2.5 uL of the test substance solution (x200 concentration), and 442.5 uL of Incubation Mixture,...


US Patent US9266853 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J7G
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM207975
PNG
(US9266853, 5526064)
Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(O)=O)[C@@](O)(CCOC)C(O)=O
Show InChI InChI=1S/C36H59F2NO8/c1-4-6-8-12-15-22-35(37,38)23-16-13-10-9-11-14-17-30(36(45,34(43)44)24-26-46-3)32(40)39-31(33(41)42)27-28-18-20-29(21-19-28)47-25-7-5-2/h14,17-21,30-32,39-40,45H,4-13,15-16,22-27H2,1-3H3,(H,41,42)(H,43,44)/b17-14+/t30-,31+,32?,36+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.62E+4n/an/an/an/an/a37



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Without Preincubation: To a 96 deep well plate was added 2.5 uL, of the test substance solution (x200 concentration), 442.5 uL of Incubation Mixture,...


US Patent US9266853 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J7G
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM207974
PNG
(US9266853, 5514403)
Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(=O)OC)[C@@](O)(CCOC)C(O)=O
Show InChI InChI=1S/C37H61F2NO8/c1-5-7-9-13-16-23-36(38,39)24-17-14-11-10-12-15-18-31(37(45,35(43)44)25-27-46-3)33(41)40-32(34(42)47-4)28-29-19-21-30(22-20-29)48-26-8-6-2/h15,18-22,31-33,40-41,45H,5-14,16-17,23-28H2,1-4H3,(H,43,44)/b18-15+/t31-,32+,33?,37+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.38E+4n/an/an/an/an/a37



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Without Preincubation: To a 96 deep well plate was added 2.5 uL, of the test substance solution (x200 concentration), 442.5 uL of Incubation Mixture,...


US Patent US9266853 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6J7G
More data for this
Ligand-Target Pair