BDBM102194 US8530648, 131

SMILES: O=C1N(Cc2cccc(c2)-c2cnccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1

InChI Key: InChIKey=MANWMDXZWSBIHD-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 = 102194   

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))	BDBM102194 (US8530648, 131) Show SMILES O=C1N(Cc2cccc(c2)-c2cnccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C28H28N6O/c35-27-28(10-15-33(16-11-28)26-19-31-23-7-1-2-8-24(23)32-26)9-4-14-34(27)20-21-5-3-6-22(17-21)25-18-29-12-13-30-25/h1-3,5-8,12-13,17-19H,4,9-11,14-16,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	23	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))	BDBM102194 (US8530648, 131) Show SMILES O=C1N(Cc2cccc(c2)-c2cnccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C28H28N6O/c35-27-28(10-15-33(16-11-28)26-19-31-23-7-1-2-8-24(23)32-26)9-4-14-34(27)20-21-5-3-6-22(17-21)25-18-29-12-13-30-25/h1-3,5-8,12-13,17-19H,4,9-11,14-16,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	357	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))	BDBM102194 (US8530648, 131) Show SMILES O=C1N(Cc2cccc(c2)-c2cnccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C28H28N6O/c35-27-28(10-15-33(16-11-28)26-19-31-23-7-1-2-8-24(23)32-26)9-4-14-34(27)20-21-5-3-6-22(17-21)25-18-29-12-13-30-25/h1-3,5-8,12-13,17-19H,4,9-11,14-16,20H2	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	623	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))	BDBM102194 (US8530648, 131) Show SMILES O=C1N(Cc2cccc(c2)-c2cnccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C28H28N6O/c35-27-28(10-15-33(16-11-28)26-19-31-23-7-1-2-8-24(23)32-26)9-4-14-34(27)20-21-5-3-6-22(17-21)25-18-29-12-13-30-25/h1-3,5-8,12-13,17-19H,4,9-11,14-16,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.86E+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