BindingDB logo
myBDB logout

BDBM143779 US10183953, Example 40::US8969352, 40::US9611277, Example 40::US9845333, 40

SMILES: COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2

InChI Key: InChIKey=YREUWZWUXFUQNJ-UHFFFAOYNA-N

Data: 18 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 18 hits for monomerid = 143779   
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))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
9 -10.2n/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 US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
9n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...


US Patent US9845333 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
9n/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)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
9n/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)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
9n/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)


Article DOI: 10.1021/jm8003575
BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
9n/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)


Article DOI: 10.1021/jm8003575
BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
15n/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)


Article DOI: 10.1021/jm8003575
BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
15n/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)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
16n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...


US Patent US9845333 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
16n/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)


Article DOI: 10.1021/jm8003575
BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
16n/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)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
16 -9.88n/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 US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
333n/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)


Article DOI: 10.1021/jm8003575
BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
333n/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)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 2 (OX2)


(Rattus norvegicus (Rat))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
340n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Human Orexin 2 Receptor:HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hycl...


US Patent US9845333 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
340n/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 US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
340n/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)


Article DOI: 10.1021/jm8003575
BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143779
PNG
(US10183953, Example 40 | US8969352, 40 | US9611277...)
Show SMILES COc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H21F3N4O3/c1-33-18-5-2-4-16(22-28-8-3-9-29-22)21(18)23(32)31-13-14-10-17(31)19(11-14)34-20-7-6-15(12-30-20)24(25,26)27/h2-9,12,14,17,19H,10-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
340n/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)


Article DOI: 10.1021/jm801496u
BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair