BDBM101901 US9695163, 27

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nc(c(C)s1)C(C)(C)O

InChI Key: InChIKey=OUIXFSUFGLVQIE-UKRRQHHQSA-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 = 101901   

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))	BDBM101901 (US9695163, 27) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nc(c(C)s1)C(C)(C)O |r| Show InChI InChI=1S/C22H26N4O2S2/c1-13-6-7-15(20-25-18(14(2)30-20)22(3,4)28)12-26(13)21(27)16-8-11-29-17(16)19-23-9-5-10-24-19/h5,8-11,13,15,28H,6-7,12H2,1-4H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	37
MERCK SHARP & DOHME CORP US Patent					Assay Description Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...				US Patent US9695163 (2017) BindingDB Entry DOI: 10.7270/Q22F7KK1
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM101901 (US9695163, 27) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nc(c(C)s1)C(C)(C)O |r| Show InChI InChI=1S/C22H26N4O2S2/c1-13-6-7-15(20-25-18(14(2)30-20)22(3,4)28)12-26(13)21(27)16-8-11-29-17(16)19-23-9-5-10-24-19/h5,8-11,13,15,28H,6-7,12H2,1-4H3/t13-,15-/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	87	n/a	n/a	n/a	n/a	n/a	37
MERCK SHARP & DOHME CORP US Patent					Assay Description Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexi...				US Patent US9695163 (2017) BindingDB Entry DOI: 10.7270/Q22F7KK1
					More data for this Ligand-Target Pair