BDBM50120894 CHEMBL3622329

SMILES: C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F

InChI Key: InChIKey=CZFJNTVOOOARTK-CYBMUJFWSA-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 = 50120894   

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))	BDBM50120894 (CHEMBL3622329) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(19-25-12-15(17(21)28-19)20(22,23)24)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	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))	BDBM50120894 (CHEMBL3622329) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(19-25-12-15(17(21)28-19)20(22,23)24)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/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	99	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