BDBM401805 2-{2-[(3R,6R)-1-({2-[(1S)-2,2-difluorocyclopropyl]phenyl}carbonyl)-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol::US10010539, 22

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1ncc(n1)C(C)(C)O

InChI Key: InChIKey=QWWFHIFQKIALFA-CPUCHLNUSA-N

Data: 2 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 2 hits for monomerid = 401805   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM401805 (2-{2-[(3R,6R)-1-({2-[(1S)-2,2-difluorocyclopropyl]...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C21H26F2N4O2/c1-13-8-9-14(27-24-11-18(25-27)20(2,3)29)12-26(13)19(28)16-7-5-4-6-15(16)17-10-21(17,22)23/h4-7,11,13-14,17,29H,8-10,12H2,1-3H3/t13-,14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	733	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM401805 (2-{2-[(3R,6R)-1-({2-[(1S)-2,2-difluorocyclopropyl]...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C21H26F2N4O2/c1-13-8-9-14(27-24-11-18(25-27)20(2,3)29)12-26(13)19(28)16-7-5-4-6-15(16)17-10-21(17,22)23/h4-7,11,13-14,17,29H,8-10,12H2,1-3H3/t13-,14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair