Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386118'   

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))	BDBM386118 (N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)c1cccnc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.28,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-2,-4.08,;-3.33,-3.31,;-3.33,-1.77,;-2,-1,;-.67,-1.77,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)| Show InChI InChI=1S/C21H35N3O5S2/c1-16(2)17-8-10-18(11-9-17)29-15-21-20(23-30(3,25)26)7-5-13-24(21)31(27,28)19-6-4-12-22-14-19/h4,6,12,14,16-18,20-21,23H,5,7-11,13,15H2,1-3H3/t17-,18+,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	3.80E+3	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))	BDBM386118 (N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)c1cccnc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.28,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-2,-4.08,;-3.33,-3.31,;-3.33,-1.77,;-2,-1,;-.67,-1.77,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)| Show InChI InChI=1S/C21H35N3O5S2/c1-16(2)17-8-10-18(11-9-17)29-15-21-20(23-30(3,25)26)7-5-13-24(21)31(27,28)19-6-4-12-22-14-19/h4,6,12,14,16-18,20-21,23H,5,7-11,13,15H2,1-3H3/t17-,18+,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	3.80E+3	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))	BDBM386118 (N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1S(=O)(=O)c1cccnc1)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.28,(-6,2.85,;-4.67,3.62,;-4.67,5.16,;-3.33,2.85,;-3.33,1.31,;-2,.54,;-.67,1.31,;-.67,2.85,;-2,3.62,;.67,.54,;.67,-1,;2,-1.77,;3.33,-1,;4.67,-1.77,;4.67,-3.31,;3.33,-4.08,;2,-3.31,;.67,-4.08,;-.42,-5.16,;1.76,-5.16,;-.67,-3.31,;-2,-4.08,;-3.33,-3.31,;-3.33,-1.77,;-2,-1,;-.67,-1.77,;3.33,.54,;4.67,1.31,;6,.54,;3.9,2.65,;5.44,2.65,)| Show InChI InChI=1S/C21H35N3O5S2/c1-16(2)17-8-10-18(11-9-17)29-15-21-20(23-30(3,25)26)7-5-13-24(21)31(27,28)19-6-4-12-22-14-19/h4,6,12,14,16-18,20-21,23H,5,7-11,13,15H2,1-3H3/t17-,18+,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	3.80E+3	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