Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386100'   

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))	BDBM386100 (N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)N1CCCC1)NS(C)(=O)=O |r,wU:6.9,11.11,12.26,3.2,(-4.67,5.39,;-4.67,3.85,;-6,3.08,;-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,-5.39,;-.67,-3.08,;-.67,-1.54,;-2.13,-1.06,;-3.04,-2.31,;-2.13,-3.56,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C21H39N3O4S/c1-16(2)17-8-10-18(11-9-17)28-15-20-19(22-29(3,26)27)7-6-14-24(20)21(25)23-12-4-5-13-23/h16-20,22H,4-15H2,1-3H3/t17-,18+,19-,20-/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	940	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))	BDBM386100 (N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)N1CCCC1)NS(C)(=O)=O |r,wU:6.9,11.11,12.26,3.2,(-4.67,5.39,;-4.67,3.85,;-6,3.08,;-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,-5.39,;-.67,-3.08,;-.67,-1.54,;-2.13,-1.06,;-3.04,-2.31,;-2.13,-3.56,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C21H39N3O4S/c1-16(2)17-8-10-18(11-9-17)28-15-20-19(22-29(3,26)27)7-6-14-24(20)21(25)23-12-4-5-13-23/h16-20,22H,4-15H2,1-3H3/t17-,18+,19-,20-/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	940	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))	BDBM386100 (N-(cis-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)...) Show SMILES CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(=O)N1CCCC1)NS(C)(=O)=O |r,wU:6.9,11.11,12.26,3.2,(-4.67,5.39,;-4.67,3.85,;-6,3.08,;-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,-5.39,;-.67,-3.08,;-.67,-1.54,;-2.13,-1.06,;-3.04,-2.31,;-2.13,-3.56,;3.33,.77,;4.67,1.54,;6,.77,;3.9,2.87,;5.44,2.87,)| Show InChI InChI=1S/C21H39N3O4S/c1-16(2)17-8-10-18(11-9-17)28-15-20-19(22-29(3,26)27)7-6-14-24(20)21(25)23-12-4-5-13-23/h16-20,22H,4-15H2,1-3H3/t17-,18+,19-,20-/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	940	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