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BDBM163918 US9062078, 49::US9475819, 49::US9637496, 49::US9695183, 49

SMILES: Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1

InChI Key: InChIKey=SZUOJINYASMROO-UHFFFAOYNA-N

Data: 12 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 12 hits for monomerid = 163918   
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))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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US Patent
69 -9.07n/an/an/an/an/an/a4



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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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69n/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 US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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US Patent
69 -9.07n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) s...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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69 -9.07n/an/an/an/an/an/a4



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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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US Patent
81 -10.2n/an/an/an/an/an/a40



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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US Patent
81 -8.99n/an/an/an/an/an/a4



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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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81n/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 US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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US Patent
81 -8.99n/an/an/an/an/an/a4



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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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192 -9.62n/an/an/an/an/an/a40



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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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US Patent
192 -9.62n/an/an/an/an/an/a40



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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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192 -9.62n/an/an/an/an/an/a40



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163918
PNG
(US9062078, 49 | US9475819, 49 | US9637496, 49 | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(Br)cn1)C2)-n1nccn1
Show InChI InChI=1/C21H21BrN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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192n/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 US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair