BDBM50306292 CHEMBL605735::N,N-diethyl-4-(3-(3-hydroxyphenyl)-1-(thiazol-2-ylmethyl)piperidin-3-yl)benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1

InChI Key: InChIKey=ZAKIMSJDFSDBER-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50306292   

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))	BDBM50306292 (CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1 Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 503-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.113 BindingDB Entry DOI: 10.7270/Q2C53KX1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50306292 (CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1 Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 503-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.113 BindingDB Entry DOI: 10.7270/Q2C53KX1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50306292 (CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1 Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 503-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.113 BindingDB Entry DOI: 10.7270/Q2C53KX1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50306292 (CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1 Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at delta opioid receptor by GTPgammaS bunding assay				Bioorg Med Chem Lett 20: 503-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.113 BindingDB Entry DOI: 10.7270/Q2C53KX1
					More data for this Ligand-Target Pair