BDBM50120881 CHEMBL3622330

SMILES: C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F

InChI Key: InChIKey=NJWCKDWXWLTKKL-OAHLLOKOSA-N

Data: 1 KI  1 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 = 50120881   

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))	BDBM50120881 (CHEMBL3622330) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N7O/c1-14-4-5-19(32-27-7-8-28-32)17(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-18(16(3)29-21)22(23,24)25/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay				Bioorg Med Chem Lett 25: 4992-9 (2015) BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50120881 (CHEMBL3622330) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N7O/c1-14-4-5-19(32-27-7-8-28-32)17(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-18(16(3)29-21)22(23,24)25/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...				Bioorg Med Chem Lett 25: 4992-9 (2015) BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair