Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386893'   

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))	BDBM386893 (US10287305, Example 344 | US10508083, Example 344 ...) Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccc(OC)cc1 |r,wU:20.24,17.17,14.15,8.8,(,-4.23,;1.33,-3.46,;2.67,-4.23,;2.67,-5.77,;4,-3.47,;5.33,-4.24,;6.67,-3.47,;6.67,-1.93,;5.33,-1.15,;5.33,.39,;6.67,1.16,;8,.39,;5.9,2.49,;7.44,2.49,;4,-1.93,;2.67,-1.16,;2.67,.38,;1.33,1.15,;,.39,;-1.33,1.15,;-1.33,2.69,;,3.46,;1.33,2.69,;-2.67,3.46,;-2.67,5,;-4,5.77,;-5.33,5,;-6.67,5.77,;-8,5,;-5.33,3.46,;-4,2.69,)| Show InChI InChI=1S/C22H34N2O6S/c1-28-18-10-6-16(7-11-18)17-8-12-19(13-9-17)30-15-21-20(23-31(3,26)27)5-4-14-24(21)22(25)29-2/h6-7,10-11,17,19-21,23H,4-5,8-9,12-15H2,1-3H3/t17-,19+,20-,21-/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	290	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))	BDBM386893 (US10287305, Example 344 | US10508083, Example 344 ...) Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccc(OC)cc1 |r,wU:20.24,17.17,14.15,8.8,(,-4.23,;1.33,-3.46,;2.67,-4.23,;2.67,-5.77,;4,-3.47,;5.33,-4.24,;6.67,-3.47,;6.67,-1.93,;5.33,-1.15,;5.33,.39,;6.67,1.16,;8,.39,;5.9,2.49,;7.44,2.49,;4,-1.93,;2.67,-1.16,;2.67,.38,;1.33,1.15,;,.39,;-1.33,1.15,;-1.33,2.69,;,3.46,;1.33,2.69,;-2.67,3.46,;-2.67,5,;-4,5.77,;-5.33,5,;-6.67,5.77,;-8,5,;-5.33,3.46,;-4,2.69,)| Show InChI InChI=1S/C22H34N2O6S/c1-28-18-10-6-16(7-11-18)17-8-12-19(13-9-17)30-15-21-20(23-31(3,26)27)5-4-14-24(21)22(25)29-2/h6-7,10-11,17,19-21,23H,4-5,8-9,12-15H2,1-3H3/t17-,19+,20-,21-/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	290	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))	BDBM386893 (US10287305, Example 344 | US10508083, Example 344 ...) Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccc(OC)cc1 |r,wU:20.24,17.17,14.15,8.8,(,-4.23,;1.33,-3.46,;2.67,-4.23,;2.67,-5.77,;4,-3.47,;5.33,-4.24,;6.67,-3.47,;6.67,-1.93,;5.33,-1.15,;5.33,.39,;6.67,1.16,;8,.39,;5.9,2.49,;7.44,2.49,;4,-1.93,;2.67,-1.16,;2.67,.38,;1.33,1.15,;,.39,;-1.33,1.15,;-1.33,2.69,;,3.46,;1.33,2.69,;-2.67,3.46,;-2.67,5,;-4,5.77,;-5.33,5,;-6.67,5.77,;-8,5,;-5.33,3.46,;-4,2.69,)| Show InChI InChI=1S/C22H34N2O6S/c1-28-18-10-6-16(7-11-18)17-8-12-19(13-9-17)30-15-21-20(23-31(3,26)27)5-4-14-24(21)22(25)29-2/h6-7,10-11,17,19-21,23H,4-5,8-9,12-15H2,1-3H3/t17-,19+,20-,21-/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	290	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