BDBM50258774 (5-allyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(6-(pent-4-enyl)naphthalen-2-yl)-1,4-diazepan-1-yl)methanone::CHEMBL466260

SMILES: C=CCCCc1ccc2cc(ccc2c1)N1CCCN(CC1)C(=O)c1cc(CC=C)ccc1-n1nccn1

InChI Key: InChIKey=ICNLTYPKWZKTMW-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 = 50258774   

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 1 (Homo sapiens (Human))	BDBM50258774 ((5-allyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(6-(pe...) Show SMILES C=CCCCc1ccc2cc(ccc2c1)N1CCCN(CC1)C(=O)c1cc(CC=C)ccc1-n1nccn1 Show InChI InChI=1S/C32H35N5O/c1-3-5-6-9-26-10-12-28-24-29(14-13-27(28)22-26)35-18-7-19-36(21-20-35)32(38)30-23-25(8-4-2)11-15-31(30)37-33-16-17-34-37/h3-4,10-17,22-24H,1-2,5-9,18-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50258774 ((5-allyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(6-(pe...) Show SMILES C=CCCCc1ccc2cc(ccc2c1)N1CCCN(CC1)C(=O)c1cc(CC=C)ccc1-n1nccn1 Show InChI InChI=1S/C32H35N5O/c1-3-5-6-9-26-10-12-28-24-29(14-13-27(28)22-26)35-18-7-19-36(21-20-35)32(38)30-23-25(8-4-2)11-15-31(30)37-33-16-17-34-37/h3-4,10-17,22-24H,1-2,5-9,18-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	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