Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314422'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	233	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	308	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.10E+3	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair