null

SMILES: Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1

InChI Key: InChIKey=APHKMEWYYNAEKH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 164093   

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 2 (Homo sapiens (Human))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+3	-7.73	n/a	n/a	n/a	n/a	n/a	n/a	40
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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	-8.96	n/a	n/a	n/a	n/a	n/a	n/a	40
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))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+3	-7.73	n/a	n/a	n/a	n/a	n/a	n/a	40
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))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-7.16	n/a	n/a	n/a	n/a	n/a	n/a	40
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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	-7.93	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 US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-6.34	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 US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	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 US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+3	-7.73	n/a	n/a	n/a	n/a	n/a	n/a	40
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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-6.34	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 US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-7.16	n/a	n/a	n/a	n/a	n/a	n/a	40
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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	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 US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+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 US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	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 US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164093 (US9062078, 223 | US9475819, 228 | US9637496, 228 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ncc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C20H19F3N8O/c1-11-2-4-16(31-26-6-7-27-31)17(28-11)18(32)30-13-3-5-15(30)14(8-13)29-19-24-9-12(10-25-19)20(21,22)23/h2,4,6-7,9-10,13-15H,3,5,8H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	-7.93	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 US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair