BDBM184077 US9150566, 115

SMILES: C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=IEJDUPAJXHWTNS-YLJYHZDGSA-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 = 184077   

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))	BDBM184077 (US9150566, 115) Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-28-9-10-29-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-26-7-8-27-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/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))	BDBM184077 (US9150566, 115) Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-28-9-10-29-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-26-7-8-27-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/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	2.40E+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))	BDBM184077 (US9150566, 115) Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-28-9-10-29-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-26-7-8-27-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/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	146	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