BDBM123329 US8742106, 1.16

SMILES: CC(CCc1ccccc1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1

InChI Key: InChIKey=CAUFTNZPQHXAFY-UHFFFAOYSA-N

Data: 2 Kd

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 = 123329   

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))	BDBM123329 (US8742106, 1.16) Show SMILES CC(CCc1ccccc1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1 Show InChI InChI=1S/C26H28N4O2/c1-18-16-23(28-26-24(18)25(29-30(26)3)21-12-8-5-9-13-21)32-17-22(31)27-19(2)14-15-20-10-6-4-7-11-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	28	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123329 (US8742106, 1.16) Show SMILES CC(CCc1ccccc1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1 Show InChI InChI=1S/C26H28N4O2/c1-18-16-23(28-26-24(18)25(29-30(26)3)21-12-8-5-9-13-21)32-17-22(31)27-19(2)14-15-20-10-6-4-7-11-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	116	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair