BDBM158195 US9029364, 1

SMILES: C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=PYKRMGBCBZXQMO-NVXWUHKLSA-N

Data: 2 KI

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 = 158195   

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 2 (Homo sapiens (Human))	BDBM158195 (US9029364, 1) Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C21H22FN5O2S/c1-14-3-5-19(27-24-7-8-25-27)18(9-14)21(28)26-11-17(30-13-15(26)2)12-29-20-6-4-16(22)10-23-20/h3-10,15,17H,11-13H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9029364 (2015) BindingDB Entry DOI: 10.7270/Q2SF2TX1
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM158195 (US9029364, 1) Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C21H22FN5O2S/c1-14-3-5-19(27-24-7-8-25-27)18(9-14)21(28)26-11-17(30-13-15(26)2)12-29-20-6-4-16(22)10-23-20/h3-10,15,17H,11-13H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9029364 (2015) BindingDB Entry DOI: 10.7270/Q2SF2TX1
					More data for this Ligand-Target Pair