Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM294345'   

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))	BDBM294345 (US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294345 (US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description . In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair