BDBM184013 US9150566, 50

SMILES: COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1

InChI Key: InChIKey=GEVLHZAYQOXANJ-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 = 184013   

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))	BDBM184013 (US9150566, 50) Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1 Show InChI InChI=1S/C25H24N6O3/c1-33-21-6-7-23(31-28-10-11-29-31)22(16-21)25(32)30-12-13-34-17-20(30)15-18-4-2-5-19(14-18)24-26-8-3-9-27-24/h2-11,14,16,20H,12-13,15,17H2,1H3/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	2	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))	BDBM184013 (US9150566, 50) Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1 Show InChI InChI=1S/C25H24N6O3/c1-33-21-6-7-23(31-28-10-11-29-31)22(16-21)25(32)30-12-13-34-17-20(30)15-18-4-2-5-19(14-18)24-26-8-3-9-27-24/h2-11,14,16,20H,12-13,15,17H2,1H3/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	>5.00E+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))	BDBM184013 (US9150566, 50) Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1 Show InChI InChI=1S/C25H24N6O3/c1-33-21-6-7-23(31-28-10-11-29-31)22(16-21)25(32)30-12-13-34-17-20(30)15-18-4-2-5-19(14-18)24-26-8-3-9-27-24/h2-11,14,16,20H,12-13,15,17H2,1H3/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	942	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