BDBM102134 US8530648, 31

SMILES: O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1

InChI Key: InChIKey=IPMCDCHOUVXMRQ-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 = 102134   

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))	BDBM102134 (US8530648, 31) Show SMILES O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H28N4O3/c31-25-26(9-4-12-30(25)18-19-5-3-8-22-24(19)33-16-15-32-22)10-13-29(14-11-26)23-17-27-20-6-1-2-7-21(20)28-23/h1-3,5-8,17H,4,9-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	46	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))	BDBM102134 (US8530648, 31) Show SMILES O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H28N4O3/c31-25-26(9-4-12-30(25)18-19-5-3-8-22-24(19)33-16-15-32-22)10-13-29(14-11-26)23-17-27-20-6-1-2-7-21(20)28-23/h1-3,5-8,17H,4,9-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.36E+3	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))	BDBM102134 (US8530648, 31) Show SMILES O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H28N4O3/c31-25-26(9-4-12-30(25)18-19-5-3-8-22-24(19)33-16-15-32-22)10-13-29(14-11-26)23-17-27-20-6-1-2-7-21(20)28-23/h1-3,5-8,17H,4,9-16,18H2	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	121	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))	BDBM102134 (US8530648, 31) Show SMILES O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C26H28N4O3/c31-25-26(9-4-12-30(25)18-19-5-3-8-22-24(19)33-16-15-32-22)10-13-29(14-11-26)23-17-27-20-6-1-2-7-21(20)28-23/h1-3,5-8,17H,4,9-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.06E+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