Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386097'   

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))	BDBM386097 (US10287305, Example 37 | US10508083, Example 37 | ...) Show SMILES CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@@H]1CC[C@H](C)CC1)C(=O)Nc1ccccc1 |r,wU:14.14,11.12,6.5,17.18,(6,3.85,;4.67,3.08,;3.33,3.85,;2.56,5.18,;4.1,5.18,;2,3.08,;2,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-2,5.39,;-3.33,6.16,;-4.67,5.39,;-6,6.16,;-4.67,3.85,;-3.33,3.08,;-.67,-1.54,;-2,-.77,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-2,-5.39,)| Show InChI InChI=1S/C22H35N3O4S/c1-3-30(27,28)24-20-10-7-15-25(22(26)23-18-8-5-4-6-9-18)21(20)16-29-19-13-11-17(2)12-14-19/h4-6,8-9,17,19-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/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	880	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))	BDBM386097 (US10287305, Example 37 | US10508083, Example 37 | ...) Show SMILES CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@@H]1CC[C@H](C)CC1)C(=O)Nc1ccccc1 |r,wU:14.14,11.12,6.5,17.18,(6,3.85,;4.67,3.08,;3.33,3.85,;2.56,5.18,;4.1,5.18,;2,3.08,;2,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-2,5.39,;-3.33,6.16,;-4.67,5.39,;-6,6.16,;-4.67,3.85,;-3.33,3.08,;-.67,-1.54,;-2,-.77,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-2,-5.39,)| Show InChI InChI=1S/C22H35N3O4S/c1-3-30(27,28)24-20-10-7-15-25(22(26)23-18-8-5-4-6-9-18)21(20)16-29-19-13-11-17(2)12-14-19/h4-6,8-9,17,19-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/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	880	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))	BDBM386097 (US10287305, Example 37 | US10508083, Example 37 | ...) Show SMILES CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@@H]1CC[C@H](C)CC1)C(=O)Nc1ccccc1 |r,wU:14.14,11.12,6.5,17.18,(6,3.85,;4.67,3.08,;3.33,3.85,;2.56,5.18,;4.1,5.18,;2,3.08,;2,1.54,;3.33,.77,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-2,5.39,;-3.33,6.16,;-4.67,5.39,;-6,6.16,;-4.67,3.85,;-3.33,3.08,;-.67,-1.54,;-2,-.77,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-2,-5.39,)| Show InChI InChI=1S/C22H35N3O4S/c1-3-30(27,28)24-20-10-7-15-25(22(26)23-18-8-5-4-6-9-18)21(20)16-29-19-13-11-17(2)12-14-19/h4-6,8-9,17,19-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/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	880	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