BDBM184047 US9150566, 85

SMILES: Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1C)-n1nccn1

InChI Key: InChIKey=BTNLZELUPKRKLO-HXUWFJFHSA-N

Data: 3 IC50

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 3 hits for monomerid = 184047   

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 1 (Homo sapiens (Human))	BDBM184047 (US9150566, 85) Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1C)-n1nccn1 Show InChI InChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/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	1	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))	BDBM184047 (US9150566, 85) Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1C)-n1nccn1 Show InChI InChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.50E+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))	BDBM184047 (US9150566, 85) Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1C)-n1nccn1 Show InChI InChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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