BDBM102164 US8530648, 61

SMILES: Cc1onc(c1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)-c1ccccc1

InChI Key: InChIKey=WUXPKZJKAXKBRE-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 = 102164   

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))	BDBM102164 (US8530648, 61) Show SMILES Cc1onc(c1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c1-20-22(26(31-35-20)21-8-3-2-4-9-21)19-33-15-7-12-28(27(33)34)13-16-32(17-14-28)25-18-29-23-10-5-6-11-24(23)30-25/h2-6,8-11,18H,7,12-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	88	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))	BDBM102164 (US8530648, 61) Show SMILES Cc1onc(c1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c1-20-22(26(31-35-20)21-8-3-2-4-9-21)19-33-15-7-12-28(27(33)34)13-16-32(17-14-28)25-18-29-23-10-5-6-11-24(23)30-25/h2-6,8-11,18H,7,12-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.56E+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))	BDBM102164 (US8530648, 61) Show SMILES Cc1onc(c1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c1-20-22(26(31-35-20)21-8-3-2-4-9-21)19-33-15-7-12-28(27(33)34)13-16-32(17-14-28)25-18-29-23-10-5-6-11-24(23)30-25/h2-6,8-11,18H,7,12-17,19H2,1H3	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	181	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))	BDBM102164 (US8530648, 61) Show SMILES Cc1onc(c1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c1-20-22(26(31-35-20)21-8-3-2-4-9-21)19-33-15-7-12-28(27(33)34)13-16-32(17-14-28)25-18-29-23-10-5-6-11-24(23)30-25/h2-6,8-11,18H,7,12-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.32E+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