Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314889'   

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))	BDBM314889 ((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(33)32-12-13-9-17(18(32)10-13)31-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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))	BDBM314889 ((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(33)32-12-13-9-17(18(32)10-13)31-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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))	BDBM314889 ((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(33)32-12-13-9-17(18(32)10-13)31-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2,(H,30,31)	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 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 (Homo sapiens (Human))	BDBM314889 ((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(33)32-12-13-9-17(18(32)10-13)31-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2,(H,30,31)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair