BDBM50543819 CHEMBL4639148

SMILES: Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1

InChI Key: InChIKey=GGEFNKYUDAADPY-IBGZPJMESA-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 = 50543819   

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))	BDBM50543819 (CHEMBL4639148) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.60	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))	BDBM50543819 (CHEMBL4639148) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.30	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