BDBM401869 2-{1-[(3R,6R)-1-({2-[(1S)-2,2- Difluorocyclopropyl]phenyl}carbonyl)- 6-methylpiperidin-3-yl]-1H- pyrazol-4-yl}propan-2-ol::US10010539, 85

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1cc(cn1)C(C)(C)O

InChI Key: InChIKey=VRYJMGFCXRPMAN-OGWOLHLISA-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 = 401869   

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))	BDBM401869 (2-{1-[(3R,6R)-1-({2-[(1S)-2,2- Difluorocyclopropyl...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1cc(cn1)C(C)(C)O |r| Show InChI InChI=1S/C22H27F2N3O2/c1-14-8-9-16(27-12-15(11-25-27)21(2,3)29)13-26(14)20(28)18-7-5-4-6-17(18)19-10-22(19,23)24/h4-7,11-12,14,16,19,29H,8-10,13H2,1-3H3/t14-,16-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.64E+3	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))	BDBM401869 (2-{1-[(3R,6R)-1-({2-[(1S)-2,2- Difluorocyclopropyl...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1[C@@H]1CC1(F)F)n1cc(cn1)C(C)(C)O |r| Show InChI InChI=1S/C22H27F2N3O2/c1-14-8-9-16(27-12-15(11-25-27)21(2,3)29)13-26(14)20(28)18-7-5-4-6-17(18)19-10-22(19,23)24/h4-7,11-12,14,16,19,29H,8-10,13H2,1-3H3/t14-,16-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	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