Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386077'   

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))	BDBM386077 (N-((2R,3S)-1-acetyl-2-(((cis-4- (2,3- difluorophen...) Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F |r,wU:19.23,16.16,13.14,7.7,(1.33,-6.54,;1.33,-5,;,-4.23,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;-2.67,5,)| Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-12-4-7-19(24-30(2,27)28)20(25)13-29-16-10-8-15(9-11-16)17-5-3-6-18(22)21(17)23/h3,5-6,15-16,19-20,24H,4,7-13H2,1-2H3/t15-,16+,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	12	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))	BDBM386077 (N-((2R,3S)-1-acetyl-2-(((cis-4- (2,3- difluorophen...) Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F |r,wU:19.23,16.16,13.14,7.7,(1.33,-6.54,;1.33,-5,;,-4.23,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;-2.67,5,)| Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-12-4-7-19(24-30(2,27)28)20(25)13-29-16-10-8-15(9-11-16)17-5-3-6-18(22)21(17)23/h3,5-6,15-16,19-20,24H,4,7-13H2,1-2H3/t15-,16+,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	12	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))	BDBM386077 (N-((2R,3S)-1-acetyl-2-(((cis-4- (2,3- difluorophen...) Show SMILES CC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1F |r,wU:19.23,16.16,13.14,7.7,(1.33,-6.54,;1.33,-5,;,-4.23,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.38,;6.67,-.39,;4.56,1.72,;6.1,1.72,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-1.33,2.69,;,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,;-2.67,5,)| Show InChI InChI=1S/C21H30F2N2O4S/c1-14(26)25-12-4-7-19(24-30(2,27)28)20(25)13-29-16-10-8-15(9-11-16)17-5-3-6-18(22)21(17)23/h3,5-6,15-16,19-20,24H,4,7-13H2,1-2H3/t15-,16+,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	12	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