BDBM86978 (S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanamido)-3-(naphthalen-1-yl)propanoic acid::CAS_44453750::NSC_44453750

SMILES: CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1

InChI Key: InChIKey=BNTCUBVESQBBRF-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 = 86978   

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))	BDBM86978 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM86978 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM86978 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2006-12 (2008) Article DOI: 10.1016/j.bmcl.2008.01.106 BindingDB Entry DOI: 10.7270/Q2B856Q8
					More data for this Ligand-Target Pair