null

SMILES: CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O

InChI Key: InChIKey=AOMXASJNOXDGQS-MHORFTMASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 386120   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM386120 (N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/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	97	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))	BDBM386120 (N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/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	170	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))	BDBM386120 (N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM386120 (N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/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	170	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM386120 (N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	97	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM386120 (N-((2R,3S)-1-acetyl-2-(((cis-4- isopropylcyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(C)(=O)=O |r,wU:3.2,6.9,11.11,12.21,(-6,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;.67,-5.39,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C18H34N2O4S/c1-13(2)15-7-9-16(10-8-15)24-12-18-17(19-25(4,22)23)6-5-11-20(18)14(3)21/h13,15-19H,5-12H2,1-4H3/t15-,16+,17-,18-/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	97	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