BDBM86972 (S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)-3-phenylpropanoic acid::CAS_44453824::NSC_44453824

SMILES: CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1

InChI Key: InChIKey=RMXKGIPQCLKWKR-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 = 86972   

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))	BDBM86972 ((S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyp...) Show SMILES CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C32H37ClN2O4/c1-23-21-34(17-15-32(23,2)26-11-7-13-28(36)20-26)16-14-30(37)35(22-25-10-6-12-27(33)18-25)29(31(38)39)19-24-8-4-3-5-9-24/h3-13,18,20,23,29,36H,14-17,19,21-22H2,1-2H3,(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	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))	BDBM86972 ((S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyp...) Show SMILES CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C32H37ClN2O4/c1-23-21-34(17-15-32(23,2)26-11-7-13-28(36)20-26)16-14-30(37)35(22-25-10-6-12-27(33)18-25)29(31(38)39)19-24-8-4-3-5-9-24/h3-13,18,20,23,29,36H,14-17,19,21-22H2,1-2H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	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))	BDBM86972 ((S)-2-(N-(3-chlorobenzyl)-3-((3R,4R)-4-(3-hydroxyp...) Show SMILES CC1CN(CCC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C32H37ClN2O4/c1-23-21-34(17-15-32(23,2)26-11-7-13-28(36)20-26)16-14-30(37)35(22-25-10-6-12-27(33)18-25)29(31(38)39)19-24-8-4-3-5-9-24/h3-13,18,20,23,29,36H,14-17,19,21-22H2,1-2H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	460	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