BDBM86975 (S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanamido)pentanedioic acid::CAS_44453675::NSC_44453675

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

InChI Key: InChIKey=BASSZBBHUWOXEB-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 = 86975   

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))	BDBM86975 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C28H36N2O6/c1-19-17-30(14-13-28(19,2)22-9-6-10-23(31)16-22)18-21(15-20-7-4-3-5-8-20)26(34)29-24(27(35)36)11-12-25(32)33/h3-10,16,19,21,24,31H,11-15,17-18H2,1-2H3,(H,29,34)(H,32,33)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM86975 ((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...) Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C28H36N2O6/c1-19-17-30(14-13-28(19,2)22-9-6-10-23(31)16-22)18-21(15-20-7-4-3-5-8-20)26(34)29-24(27(35)36)11-12-25(32)33/h3-10,16,19,21,24,31H,11-15,17-18H2,1-2H3,(H,29,34)(H,32,33)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	360	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