BDBM50120889 CHEMBL3622324

SMILES: C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1Cl

InChI Key: InChIKey=GWEXBBKGSYMXAN-CQSZACIVSA-N

Data: 1 KI  1 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 = 50120889   

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))	BDBM50120889 (CHEMBL3622324) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1Cl |r| Show InChI InChI=1S/C20H22ClN7O/c1-14-7-10-26(19-17(21)13-22-15(2)25-19)11-12-27(14)20(29)16-5-3-4-6-18(16)28-23-8-9-24-28/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay				Bioorg Med Chem Lett 25: 4992-9 (2015) BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50120889 (CHEMBL3622324) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1Cl |r| Show InChI InChI=1S/C20H22ClN7O/c1-14-7-10-26(19-17(21)13-22-15(2)25-19)11-12-27(14)20(29)16-5-3-4-6-18(16)28-23-8-9-24-28/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...				Bioorg Med Chem Lett 25: 4992-9 (2015) BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair