BDBM50258743 CHEMBL511604::cyclohexyl(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone

SMILES: O=C(C1CCCCC1)N1CCCN(CC1)c1ncc2ccccc2n1

InChI Key: InChIKey=HRNIMASBEJIPGA-UHFFFAOYSA-N

Data: 2 KI

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 = 50258743   

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))	BDBM50258743 (CHEMBL511604 | cyclohexyl(4-(quinazolin-2-yl)-1,4-...) Show SMILES O=C(C1CCCCC1)N1CCCN(CC1)c1ncc2ccccc2n1 Show InChI InChI=1S/C20H26N4O/c25-19(16-7-2-1-3-8-16)23-11-6-12-24(14-13-23)20-21-15-17-9-4-5-10-18(17)22-20/h4-5,9-10,15-16H,1-3,6-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	550	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 OX2 receptor (unknown origin)				Bioorg Med Chem Lett 19: 2997-3001 (2009) Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50258743 (CHEMBL511604 | cyclohexyl(4-(quinazolin-2-yl)-1,4-...) Show SMILES O=C(C1CCCCC1)N1CCCN(CC1)c1ncc2ccccc2n1 Show InChI InChI=1S/C20H26N4O/c25-19(16-7-2-1-3-8-16)23-11-6-12-24(14-13-23)20-21-15-17-9-4-5-10-18(17)22-20/h4-5,9-10,15-16H,1-3,6-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+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 OX1 receptor (unknown origin)				Bioorg Med Chem Lett 19: 2997-3001 (2009) Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1
					More data for this Ligand-Target Pair