BDBM50120884 CHEMBL3622333

SMILES: COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=QSWUFEHBPXHQOO-CQSZACIVSA-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 = 50120884   

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))	BDBM50120884 (CHEMBL3622333) Show SMILES COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22F3N7O2/c1-14-7-10-29(20-25-13-16(21(22,23)24)18(28-20)33-2)11-12-30(14)19(32)15-5-3-4-6-17(15)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.30	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))	BDBM50120884 (CHEMBL3622333) Show SMILES COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22F3N7O2/c1-14-7-10-29(20-25-13-16(21(22,23)24)18(28-20)33-2)11-12-30(14)19(32)15-5-3-4-6-17(15)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	44	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