BDBM50302761 CHEMBL569006::N,N-diethyl-4-((1-(3-fluorophenethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1

InChI Key: InChIKey=KNAWLGCFMHPKJM-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50302761   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50302761 (CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5994-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.072 BindingDB Entry DOI: 10.7270/Q22J6BX8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50302761 (CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	472	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5994-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.072 BindingDB Entry DOI: 10.7270/Q22J6BX8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50302761 (CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5994-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.072 BindingDB Entry DOI: 10.7270/Q22J6BX8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50302761 (CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 5994-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.072 BindingDB Entry DOI: 10.7270/Q22J6BX8
					More data for this Ligand-Target Pair