BDBM50138434 CHEMBL147044::N-(6-Guanidino-hexyl)-N-(1-phenethyl-piperidin-4-yl)-propionamide

SMILES: CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=DFIQEYNYBQJLCL-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 = 50138434   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50138434 (CHEMBL147044 | N-(6-Guanidino-hexyl)-N-(1-phenethy...) Show SMILES CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO (2 nM ) from opioid receptor mu 1 in human brain				Bioorg Med Chem Lett 14: 491-3 (2003) BindingDB Entry DOI: 10.7270/Q2CR5STS
					More data for this Ligand-Target Pair
Imidazoline I2-receptor (Homo sapiens (Human))	BDBM50138434 (CHEMBL147044 | N-(6-Guanidino-hexyl)-N-(1-phenethy...) Show SMILES CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	409	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Displacement of [3H]-2-BFI (1 nM) from imidazoline receptor I-2 in human brain				Bioorg Med Chem Lett 14: 491-3 (2003) BindingDB Entry DOI: 10.7270/Q2CR5STS
					More data for this Ligand-Target Pair