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SMILES: O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1cc(ccc1-n1nccn1)C#N

InChI Key: InChIKey=BVVSWRIBSPAQPU-HXUWFJFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 183994   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM183994 (US9150566, 31) Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1cc(ccc1-n1nccn1)C#N Show InChI InChI=1S/C23H20N8O2/c24-15-18-4-5-22(31-27-8-9-28-31)21(14-18)23(32)29-10-11-33-16-20(29)13-17-2-1-3-19(12-17)30-25-6-7-26-30/h1-9,12,14,20H,10-11,13,16H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM183994 (US9150566, 31) Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1cc(ccc1-n1nccn1)C#N Show InChI InChI=1S/C23H20N8O2/c24-15-18-4-5-22(31-27-8-9-28-31)21(14-18)23(32)29-10-11-33-16-20(29)13-17-2-1-3-19(12-17)30-25-6-7-26-30/h1-9,12,14,20H,10-11,13,16H2/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...				US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM183994 (US9150566, 31) Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1cc(ccc1-n1nccn1)C#N Show InChI InChI=1S/C23H20N8O2/c24-15-18-4-5-22(31-27-8-9-28-31)21(14-18)23(32)29-10-11-33-16-20(29)13-17-2-1-3-19(12-17)30-25-6-7-26-30/h1-9,12,14,20H,10-11,13,16H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9150566 (2015) BindingDB Entry DOI: 10.7270/Q2M32TJ3
					More data for this Ligand-Target Pair