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3 similar compounds to monomer 50440023

Compile data set for download or QSAR
Wt: 440.4
BDBM50440024
Wt: 440.4
BDBM50440025
Wt: 440.4
BDBM50440026

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50440024,50440025,50440026   
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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50440024
PNG
(CHEMBL2425785)
Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(F)cn1)c1cccc(F)c1
Show InChI InChI=1/C23H22F2N4O3/c1-14-26-11-20(19(28-14)12-31-2)32-13-23(15-4-3-5-16(24)8-15)9-18(23)22(30)29-21-7-6-17(25)10-27-21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,27,29,30)/t18-,23+/s2
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1n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX1 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440024
PNG
(CHEMBL2425785)
Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(F)cn1)c1cccc(F)c1
Show InChI InChI=1/C23H22F2N4O3/c1-14-26-11-20(19(28-14)12-31-2)32-13-23(15-4-3-5-16(24)8-15)9-18(23)22(30)29-21-7-6-17(25)10-27-21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,27,29,30)/t18-,23+/s2
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1n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440025
PNG
(CHEMBL2425784)
Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F
Show InChI InChI=1/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-5-4-6-16(24)7-15)9-17(23)22(30)29-21-8-19(31-3)18(25)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/s2
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2n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50440025
PNG
(CHEMBL2425784)
Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F
Show InChI InChI=1/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-5-4-6-16(24)7-15)9-17(23)22(30)29-21-8-19(31-3)18(25)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/s2
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3n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX1 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440026
PNG
(CHEMBL2425783)
Show SMILES COc1ccc(cc1F)[C@]1(COc2cnc(C)nc2C)C[C@H]1C(=O)Nc1ccc(F)cn1
Show InChI InChI=1/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-4-6-19(31-3)18(25)8-15)9-17(23)22(30)29-21-7-5-16(24)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/s2
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7n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50440026
PNG
(CHEMBL2425783)
Show SMILES COc1ccc(cc1F)[C@]1(COc2cnc(C)nc2C)C[C@H]1C(=O)Nc1ccc(F)cn1
Show InChI InChI=1/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-4-6-19(31-3)18(25)8-15)9-17(23)22(30)29-21-7-5-16(24)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/s2
PDB

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



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX1 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair