BDBM50233299 CHEMBL4079714

SMILES: Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1

InChI Key: InChIKey=GSWHSCSDJCTXBW-UHFFFAOYSA-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 = 50233299   

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))	BDBM50233299 (CHEMBL4079714) Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)29-13-16-3-2-10-30(21(16)14-29)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...				Bioorg Med Chem Lett 27: 1458-1462 (2017) BindingDB Entry DOI: 10.7270/Q2RR21HX
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50233299 (CHEMBL4079714) Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)29-13-16-3-2-10-30(21(16)14-29)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...				Bioorg Med Chem Lett 27: 1458-1462 (2017) BindingDB Entry DOI: 10.7270/Q2RR21HX
					More data for this Ligand-Target Pair