Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386162'   

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))	BDBM386162 (US10287305, Example 117 | US10508083, Example 117 ...) Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1F |r,wU:21.25,18.18,15.16,9.9,(-2.67,-3.47,;-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.23,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;4,.38,;5.33,1.15,;6.67,.38,;4,1.93,;6.42,2.24,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.47,;,2.69,;-4,3.46,;-5.33,2.69,;-6.67,3.46,;-6.67,5,;-5.33,5.78,;-4,5,;-2.67,5.77,)| Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-14-6-9-20(25-31(2,28)29)21(26)15-30-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23/h4-5,7-8,16-17,20-21,25H,3,6,9-15H2,1-2H3,(H,24,27)/t16-,17+,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	0.120	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))	BDBM386162 (US10287305, Example 117 | US10508083, Example 117 ...) Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1F |r,wU:21.25,18.18,15.16,9.9,(-2.67,-3.47,;-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.23,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;4,.38,;5.33,1.15,;6.67,.38,;4,1.93,;6.42,2.24,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.47,;,2.69,;-4,3.46,;-5.33,2.69,;-6.67,3.46,;-6.67,5,;-5.33,5.78,;-4,5,;-2.67,5.77,)| Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-14-6-9-20(25-31(2,28)29)21(26)15-30-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23/h4-5,7-8,16-17,20-21,25H,3,6,9-15H2,1-2H3,(H,24,27)/t16-,17+,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	0.120	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))	BDBM386162 (US10287305, Example 117 | US10508083, Example 117 ...) Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1F |r,wU:21.25,18.18,15.16,9.9,(-2.67,-3.47,;-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.23,;5.33,-3.47,;5.33,-1.93,;4,-1.15,;4,.38,;5.33,1.15,;6.67,.38,;4,1.93,;6.42,2.24,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.47,;,2.69,;-4,3.46,;-5.33,2.69,;-6.67,3.46,;-6.67,5,;-5.33,5.78,;-4,5,;-2.67,5.77,)| Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-14-6-9-20(25-31(2,28)29)21(26)15-30-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23/h4-5,7-8,16-17,20-21,25H,3,6,9-15H2,1-2H3,(H,24,27)/t16-,17+,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	0.120	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