BDBM50543837 CHEMBL4641191

SMILES: Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1

InChI Key: InChIKey=SEIYMHWXOQHIRD-NRFANRHFSA-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 = 50543837   

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))	BDBM50543837 (CHEMBL4641191) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1 |r| Show InChI InChI=1S/C22H19F2N7O2/c23-15-3-5-20(31-26-7-8-27-31)17(12-15)22(32)30-9-1-11-33-21(30)14-29-10-6-19(28-29)18-4-2-16(24)13-25-18/h2-8,10,12-13,21H,1,9,11,14H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2	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))	BDBM50543837 (CHEMBL4641191) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1 |r| Show InChI InChI=1S/C22H19F2N7O2/c23-15-3-5-20(31-26-7-8-27-31)17(12-15)22(32)30-9-1-11-33-21(30)14-29-10-6-19(28-29)18-4-2-16(24)13-25-18/h2-8,10,12-13,21H,1,9,11,14H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4	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