Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM315099'   

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 (Homo sapiens (Human))	BDBM315099 ((2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1 |TLB:17:15:9.10:12.13,THB:8:9:12.13:16.15| Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)	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 (Homo sapiens (Human))	BDBM315099 ((2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1 |TLB:17:15:9.10:12.13,THB:8:9:12.13:16.15| Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)	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
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM315099 ((2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1 |TLB:17:15:9.10:12.13,THB:8:9:12.13:16.15| Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	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 (Rattus norvegicus (Rat))	BDBM315099 ((2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1 |TLB:17:15:9.10:12.13,THB:8:9:12.13:16.15| Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	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