BDBM256897 US9493432, 21

SMILES: Cc1ccc(c(c1)C(=O)N[C@@H]1CCC[C@@H]1Nc1cnc2ccccc2n1)-n1nccn1

InChI Key: InChIKey=GYTNAVCPRBXIHQ-VQTJNVASSA-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 = 256897   

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))	BDBM256897 (US9493432, 21) Show SMILES Cc1ccc(c(c1)C(=O)N[C@@H]1CCC[C@@H]1Nc1cnc2ccccc2n1)-n1nccn1 |r| Show InChI InChI=1S/C23H23N7O/c1-15-9-10-21(30-25-11-12-26-30)16(13-15)23(31)29-20-8-4-7-19(20)28-22-14-24-17-5-2-3-6-18(17)27-22/h2-3,5-6,9-14,19-20H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM256897 (US9493432, 21) Show SMILES Cc1ccc(c(c1)C(=O)N[C@@H]1CCC[C@@H]1Nc1cnc2ccccc2n1)-n1nccn1 |r| Show InChI InChI=1S/C23H23N7O/c1-15-9-10-21(30-25-11-12-26-30)16(13-15)23(31)29-20-8-4-7-19(20)28-22-14-24-17-5-2-3-6-18(17)27-22/h2-3,5-6,9-14,19-20H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair