Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM294338'   

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))	BDBM294338 (US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294338 (US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	971	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description . In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair