Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM294333'   

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))	BDBM294333 (US9586950, 2) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73.8	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))	BDBM294333 (US9586950, 2) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/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	584	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