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Patent code US9394307

Compile Data Set for Download or QSAR
Found 6 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 3A


(Homo sapiens (human))
BDBM237158
PNG
(US9394307, 4-chloro-N-(2-{5-methoxy-1H,3aH,7aH-pyr...)
Show SMILES COC1=C(C2C=CNC2N=C1)C(=O)c1ncc(C)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H18ClF3N4O4S/c1-11-7-16(30-35(32,33)12-3-4-15(23)14(8-12)22(24,25)26)19(28-9-11)20(31)18-13-5-6-27-21(13)29-10-17(18)34-2/h3-10,13,21,27,30H,1-2H3
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
The test compounds were incubated with pooled human liver microsomes at 37° C. in the presence of NADPH and appropriate concentrations of substra...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM237159
PNG
(US9394307, N-(2-{1H,3aH,7aH-pyrrolo[2,3-b]pyridine...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1C(=O)C1=CC=NC2NC=CC12
Show InChI InChI=1S/C20H13Cl2F3N4O3S/c21-10-7-16(29-33(31,32)11-1-2-15(22)14(8-11)20(23,24)25)17(28-9-10)18(30)12-3-5-26-19-13(12)4-6-27-19/h1-9,13,19,27,29H
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
The test compounds were incubated with pooled human liver microsomes at 37° C. in the presence of NADPH and appropriate concentrations of substra...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM237157
PNG
(US9394307, 4-chloro-N-(5-methyl-2-{1H-pyrazolo[3,4...)
Show SMILES Cc1cnc(C(=O)c2ccnc3[nH]ncc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H13ClF3N5O3S/c1-10-6-16(29-33(31,32)11-2-3-15(21)14(7-11)20(22,23)24)17(26-8-10)18(30)12-4-5-25-19-13(12)9-27-28-19/h2-9,29H,1H3,(H,25,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
The test compounds were incubated with pooled human liver microsomes at 37° C. in the presence of NADPH and appropriate concentrations of substra...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM237160
PNG
(US9394307, 4-chloro-N-(5-chloro-2-{7H-pyrrolo[2,3-...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1C(=O)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H10Cl2F3N5O3S/c20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)15-11-3-4-25-18(11)28-8-27-15/h1-8,29H,(H,25,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
The test compounds were incubated with pooled human liver microsomes at 37° C. in the presence of NADPH and appropriate concentrations of substra...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50398343
PNG
(CHEMBL2178573 | US9394307, 4-chloro-N-(5-methyl-2-...)
Show SMILES Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
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CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+4n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
The test compounds were incubated with pooled human liver microsomes at 37° C. in the presence of NADPH and appropriate concentrations of substra...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50398343
PNG
(CHEMBL2178573 | US9394307, 4-chloro-N-(5-methyl-2-...)
Show SMILES Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+4n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
The test compounds were incubated with pooled human liver microsomes at 37° C. in the presence of NADPH and appropriate concentrations of substra...


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