Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386089'   

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))	BDBM386089 (N-((2R,3S)-1-(cyclopropylcarbonyl)- 2-(((cis-4- ph...) Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C1CC1 |r,wU:13.13,10.11,5.4,16.20,(6.67,.38,;5.33,1.15,;4.56,2.49,;6.1,2.49,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;4,-4.23,;2.67,-3.47,;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,;-4,3.47,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.47,;-5.33,2.69,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-.77,-2.13,;-1.54,-3.47,)| Show InChI InChI=1S/C23H34N2O4S/c1-30(27,28)24-21-8-5-15-25(23(26)19-9-10-19)22(21)16-29-20-13-11-18(12-14-20)17-6-3-2-4-7-17/h2-4,6-7,18-22,24H,5,8-16H2,1H3/t18-,20+,21-,22-/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	0.660	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))	BDBM386089 (N-((2R,3S)-1-(cyclopropylcarbonyl)- 2-(((cis-4- ph...) Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C1CC1 |r,wU:13.13,10.11,5.4,16.20,(6.67,.38,;5.33,1.15,;4.56,2.49,;6.1,2.49,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;4,-4.23,;2.67,-3.47,;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,;-4,3.47,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.47,;-5.33,2.69,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-.77,-2.13,;-1.54,-3.47,)| Show InChI InChI=1S/C23H34N2O4S/c1-30(27,28)24-21-8-5-15-25(23(26)19-9-10-19)22(21)16-29-20-13-11-18(12-14-20)17-6-3-2-4-7-17/h2-4,6-7,18-22,24H,5,8-16H2,1H3/t18-,20+,21-,22-/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	0.660	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))	BDBM386089 (N-((2R,3S)-1-(cyclopropylcarbonyl)- 2-(((cis-4- ph...) Show SMILES CS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1)C(=O)C1CC1 |r,wU:13.13,10.11,5.4,16.20,(6.67,.38,;5.33,1.15,;4.56,2.49,;6.1,2.49,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;4,-4.23,;2.67,-3.47,;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,;-4,3.47,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.47,;-5.33,2.69,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-.77,-2.13,;-1.54,-3.47,)| Show InChI InChI=1S/C23H34N2O4S/c1-30(27,28)24-21-8-5-15-25(23(26)19-9-10-19)22(21)16-29-20-13-11-18(12-14-20)17-6-3-2-4-7-17/h2-4,6-7,18-22,24H,5,8-16H2,1H3/t18-,20+,21-,22-/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	0.660	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