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BDBM314986 ((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)(3-fluoro-2-(pyrimidin-2-yl)phenyl)methanone::US10183953, Example 167::US9611277, Example 167

SMILES: Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1

InChI Key: InChIKey=XXINOWMVAYQKLJ-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 314986   
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 (OX1)


(Rattus norvegicus (Rat))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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239n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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239n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair