BDBM143776 US10183953, Example 37::US8969352, 37::US9611277, Example 37::US9845333, 37

SMILES: CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2

InChI Key: InChIKey=HBQVLSLDECXOPX-UHFFFAOYSA-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 = 143776   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (OX1) (Rattus norvegicus (Rat))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (OX1) (Rattus norvegicus (Rat))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	170	-8.58	n/a	n/a	n/a	n/a	n/a	n/a	4
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 (OX1) (Rattus norvegicus (Rat))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	265	-8.33	n/a	n/a	n/a	n/a	n/a	n/a	4
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))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (OX2) (Rattus norvegicus (Rat))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM143776 (US10183953, Example 37 | US8969352, 37 | US9611277...) Show SMILES CCOc1ccc(C)nc1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2 |TLB:17:16:12.13:29,10:12:16.15:29| Show InChI InChI=1S/C21H22F3N3O3/c1-3-29-16-6-4-12(2)26-19(16)20(28)27-11-13-8-15(27)17(9-13)30-18-7-5-14(10-25-18)21(22,23)24/h4-7,10,13,15,17H,3,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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