BDBM86962 (S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanamido)succinic acid::CAS_44453699::NSC_44453699

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

InChI Key: InChIKey=KEECVFSLFKSVBD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 86962   

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))	BDBM86962 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H34N2O6/c1-18-16-29(12-11-27(18,2)21-9-6-10-22(30)14-21)17-20(13-19-7-4-3-5-8-19)25(33)28-23(26(34)35)15-24(31)32/h3-10,14,18,20,23,30H,11-13,15-17H2,1-2H3,(H,28,33)(H,31,32)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	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))	BDBM86962 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H34N2O6/c1-18-16-29(12-11-27(18,2)21-9-6-10-22(30)14-21)17-20(13-19-7-4-3-5-8-19)25(33)28-23(26(34)35)15-24(31)32/h3-10,14,18,20,23,30H,11-13,15-17H2,1-2H3,(H,28,33)(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	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