Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM315049'   

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))	BDBM315049 ((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)14-10-28-21(29-11-14)30-17-8-13-9-18(17)31(12-13)20(32)16-5-2-1-4-15(16)19-26-6-3-7-27-19/h1-7,10-11,13,17-18H,8-9,12H2,(H,28,29,30)	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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315049 ((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)14-10-28-21(29-11-14)30-17-8-13-9-18(17)31(12-13)20(32)16-5-2-1-4-15(16)19-26-6-3-7-27-19/h1-7,10-11,13,17-18H,8-9,12H2,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM315049 ((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)14-10-28-21(29-11-14)30-17-8-13-9-18(17)31(12-13)20(32)16-5-2-1-4-15(16)19-26-6-3-7-27-19/h1-7,10-11,13,17-18H,8-9,12H2,(H,28,29,30)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315049 ((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)14-10-28-21(29-11-14)30-17-8-13-9-18(17)31(12-13)20(32)16-5-2-1-4-15(16)19-26-6-3-7-27-19/h1-7,10-11,13,17-18H,8-9,12H2,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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