BDBM50543839 CHEMBL4644984

SMILES: Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-c1ncccn1

InChI Key: InChIKey=REIHLDGDOFIXTP-QHCPKHFHSA-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 = 50543839   

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))	BDBM50543839 (CHEMBL4644984) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-c1ncccn1 |r| Show InChI InChI=1S/C25H23FN6O2/c1-17-4-6-19(24-27-9-2-10-28-24)20(14-17)25(33)32-11-3-13-34-23(32)16-31-12-8-22(30-31)21-7-5-18(26)15-29-21/h2,4-10,12,14-15,23H,3,11,13,16H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.20	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))	BDBM50543839 (CHEMBL4644984) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-c1ncccn1 |r| Show InChI InChI=1S/C25H23FN6O2/c1-17-4-6-19(24-27-9-2-10-28-24)20(14-17)25(33)32-11-3-13-34-23(32)16-31-12-8-22(30-31)21-7-5-18(26)15-29-21/h2,4-10,12,14-15,23H,3,11,13,16H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.30	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