BDBM50219917 6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide::CHEMBL236170

SMILES: NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1

InChI Key: InChIKey=FZBJOVYOONJNIG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50219917   

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))	BDBM50219917 (6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide |...) Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1 Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50219917 (6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide |...) Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1 Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50219917 (6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide |...) Show SMILES NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1 Show InChI InChI=1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	496	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
					More data for this Ligand-Target Pair