BDBM102139 US8530648, 36

SMILES: O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1

InChI Key: InChIKey=KJCKVHGVQQWMCK-UHFFFAOYSA-N

Data: 2 KI  2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 102139   

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))	BDBM102139 (US8530648, 36) Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102139 (US8530648, 36) Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	904	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description FLIPR assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102139 (US8530648, 36) Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	413	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM102139 (US8530648, 36) Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.35E+3	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Radioligand binding assay using orexin receptor.				US Patent US8530648 (2013) BindingDB Entry DOI: 10.7270/Q2SB44DR
					More data for this Ligand-Target Pair