BDBM123328 US8742106, 1.13

SMILES: C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1)c1ccccc1

InChI Key: InChIKey=CWQYLWVLAFHETG-KRWDZBQOSA-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 = 123328   

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))	BDBM123328 (US8742106, 1.13) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O2/c1-16-14-21(30-15-20(29)25-17(2)18-10-6-4-7-11-18)26-24-22(16)23(27-28(24)3)19-12-8-5-9-13-19/h4-14,17H,15H2,1-3H3,(H,25,29)/t17-/m0/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	n/a	143	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 receptor type 1 (Homo sapiens (Human))	BDBM123328 (US8742106, 1.13) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O2/c1-16-14-21(30-15-20(29)25-17(2)18-10-6-4-7-11-18)26-24-22(16)23(27-28(24)3)19-12-8-5-9-13-19/h4-14,17H,15H2,1-3H3,(H,25,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	45	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