BDBM50219928 CHEMBL238282::N-methyl-6-[4-(phenethylamino-methyl)-phenoxy]-nicotinamidine

SMILES: CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1

InChI Key: InChIKey=VVCARAZTUNHWPO-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 = 50219928   

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))	BDBM50219928 (CHEMBL238282 | N-methyl-6-[4-(phenethylamino-methy...) Show SMILES CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0| Show InChI InChI=1S/C22H24N4O/c1-24-22(23)19-9-12-21(26-16-19)27-20-10-7-18(8-11-20)15-25-14-13-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H2,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	235	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]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))	BDBM50219928 (CHEMBL238282 | N-methyl-6-[4-(phenethylamino-methy...) Show SMILES CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0| Show InChI InChI=1S/C22H24N4O/c1-24-22(23)19-9-12-21(26-16-19)27-20-10-7-18(8-11-20)15-25-14-13-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H2,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA				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))	BDBM50219928 (CHEMBL238282 | N-methyl-6-[4-(phenethylamino-methy...) Show SMILES CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0| Show InChI InChI=1S/C22H24N4O/c1-24-22(23)19-9-12-21(26-16-19)27-20-10-7-18(8-11-20)15-25-14-13-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H2,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA				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