BDBM50543841 CHEMBL3398482

SMILES: CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=WNLPXECFJHLAQT-UHFFFAOYSA-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 = 50543841   

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))	BDBM50543841 (CHEMBL3398482) Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50543841 (CHEMBL3398482) Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair