BDBM50543821 CHEMBL4644741

SMILES: Cc1ccc(c(c1)C(=O)N1CCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1

InChI Key: InChIKey=HWEPGAHHAQYJAV-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 = 50543821   

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))	BDBM50543821 (CHEMBL4644741) Show SMILES Cc1ccc(c(c1)C(=O)N1CCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O2/c1-15-2-5-20(30-25-7-8-26-30)17(12-15)22(31)29-10-11-32-21(29)14-28-9-6-19(27-28)18-4-3-16(23)13-24-18/h2-9,12-13,21H,10-11,14H2,1H3/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	12	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))	BDBM50543821 (CHEMBL4644741) Show SMILES Cc1ccc(c(c1)C(=O)N1CCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O2/c1-15-2-5-20(30-25-7-8-26-30)17(12-15)22(31)29-10-11-32-21(29)14-28-9-6-19(27-28)18-4-3-16(23)13-24-18/h2-9,12-13,21H,10-11,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.10	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