BDBM50543817 CHEMBL4645974

SMILES: Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1

InChI Key: InChIKey=OMTCPGOATBMMKY-SFHVURJKSA-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 = 50543817   

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))	BDBM50543817 (CHEMBL4645974) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-4-7-22(31-26-9-10-27-31)19(13-16)23(32)30-11-2-3-18(30)15-29-12-8-21(28-29)20-6-5-17(24)14-25-20/h4-10,12-14,18H,2-3,11,15H2,1H3/t18-/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))	BDBM50543817 (CHEMBL4645974) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-4-7-22(31-26-9-10-27-31)19(13-16)23(32)30-11-2-3-18(30)15-29-12-8-21(28-29)20-6-5-17(24)14-25-20/h4-10,12-14,18H,2-3,11,15H2,1H3/t18-/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