null

SMILES: COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N

InChI Key: InChIKey=ZQFSBIXAOAXYTA-SJLPKXTDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 294352   

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))	BDBM294352 (US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294352 (US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.1	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))	BDBM294352 (US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	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
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294352 (US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	208	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