BDBM154926 US9000029, 5

SMILES: CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3N(C)CCOc3c2)c1

InChI Key: InChIKey=GIKLPDMPMGWEOB-IBGZPJMESA-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 = 154926   

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))	BDBM154926 (US9000029, 5) Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3N(C)CCOc3c2)c1 Show InChI InChI=1S/C21H25N3O4S2/c1-23-11-12-28-20-14-17(8-9-18(20)23)30(26,27)24-10-4-7-19(24)21(25)22-15-5-3-6-16(13-15)29-2/h3,5-6,8-9,13-14,19H,4,7,10-12H2,1-2H3,(H,22,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	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 US9000029 (2015) BindingDB Entry DOI: 10.7270/Q2BK1B3F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM154926 (US9000029, 5) Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3N(C)CCOc3c2)c1 Show InChI InChI=1S/C21H25N3O4S2/c1-23-11-12-28-20-14-17(8-9-18(20)23)30(26,27)24-10-4-7-19(24)21(25)22-15-5-3-6-16(13-15)29-2/h3,5-6,8-9,13-14,19H,4,7,10-12H2,1-2H3,(H,22,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	128	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 US9000029 (2015) BindingDB Entry DOI: 10.7270/Q2BK1B3F
					More data for this Ligand-Target Pair