Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386071'   

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 receptor type 2 (Homo sapiens (Human))	BDBM386071 (US10287305, Example 11 | US10508083, Example 11 | ...) Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)ccc1F |r,wU:20.24,17.17,14.15,8.8,(-.67,-4.23,;.67,-3.47,;2,-4.23,;2,-5.78,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;6,-1.93,;4.67,-1.16,;4.67,.38,;6,1.15,;7.34,.38,;5.23,2.49,;6.77,2.49,;3.33,-1.93,;2,-1.16,;2,.38,;.67,1.15,;-.67,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-6,5,;-4.67,5.78,;-3.33,5,;-2,5.77,)| Show InChI InChI=1S/C21H30F2N2O5S/c1-29-21(26)25-11-3-4-19(24-31(2,27)28)20(25)13-30-16-8-5-14(6-9-16)17-12-15(22)7-10-18(17)23/h7,10,12,14,16,19-20,24H,3-6,8-9,11,13H2,1-2H3/t14-,16+,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...				J Med Chem 50: 2213-24 (2007) BindingDB Entry DOI: 10.7270/Q2Z321Z2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM386071 (US10287305, Example 11 | US10508083, Example 11 | ...) Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)ccc1F |r,wU:20.24,17.17,14.15,8.8,(-.67,-4.23,;.67,-3.47,;2,-4.23,;2,-5.78,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;6,-1.93,;4.67,-1.16,;4.67,.38,;6,1.15,;7.34,.38,;5.23,2.49,;6.77,2.49,;3.33,-1.93,;2,-1.16,;2,.38,;.67,1.15,;-.67,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-6,5,;-4.67,5.78,;-3.33,5,;-2,5.77,)| Show InChI InChI=1S/C21H30F2N2O5S/c1-29-21(26)25-11-3-4-19(24-31(2,27)28)20(25)13-30-16-8-5-14(6-9-16)17-12-15(22)7-10-18(17)23/h7,10,12,14,16,19-20,24H,3-6,8-9,11,13H2,1-2H3/t14-,16+,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CZ3BCW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM386071 (US10287305, Example 11 | US10508083, Example 11 | ...) Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)ccc1F |r,wU:20.24,17.17,14.15,8.8,(-.67,-4.23,;.67,-3.47,;2,-4.23,;2,-5.78,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;6,-1.93,;4.67,-1.16,;4.67,.38,;6,1.15,;7.34,.38,;5.23,2.49,;6.77,2.49,;3.33,-1.93,;2,-1.16,;2,.38,;.67,1.15,;-.67,.38,;-2,1.15,;-2,2.69,;-.67,3.46,;.67,2.69,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-6,5,;-4.67,5.78,;-3.33,5,;-2,5.77,)| Show InChI InChI=1S/C21H30F2N2O5S/c1-29-21(26)25-11-3-4-19(24-31(2,27)28)20(25)13-30-16-8-5-14(6-9-16)17-12-15(22)7-10-18(17)23/h7,10,12,14,16,19-20,24H,3-6,8-9,11,13H2,1-2H3/t14-,16+,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...				US Patent US10508083 (2019) BindingDB Entry DOI: 10.7270/Q29S1TD1
					More data for this Ligand-Target Pair