BDBM86971 (S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-N-isobutylpropanamido)-3-phenylpropanoic acid::CAS_44453880::NSC_44453880

SMILES: CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1

InChI Key: InChIKey=DGOUNVLJIMXXBH-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 = 86971   

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))	BDBM86971 ((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...) Show SMILES CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1 Show InChI InChI=1S/C29H40N2O4/c1-21(2)19-31(26(28(34)35)17-23-9-6-5-7-10-23)27(33)13-15-30-16-14-29(4,22(3)20-30)24-11-8-12-25(32)18-24/h5-12,18,21-22,26,32H,13-17,19-20H2,1-4H3,(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	28	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))	BDBM86971 ((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...) Show SMILES CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1 Show InChI InChI=1S/C29H40N2O4/c1-21(2)19-31(26(28(34)35)17-23-9-6-5-7-10-23)27(33)13-15-30-16-14-29(4,22(3)20-30)24-11-8-12-25(32)18-24/h5-12,18,21-22,26,32H,13-17,19-20H2,1-4H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	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))	BDBM86971 ((S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl...) Show SMILES CC(C)CN(C(Cc1ccccc1)C(O)=O)C(=O)CCN1CCC(C)(C(C)C1)c1cccc(O)c1 Show InChI InChI=1S/C29H40N2O4/c1-21(2)19-31(26(28(34)35)17-23-9-6-5-7-10-23)27(33)13-15-30-16-14-29(4,22(3)20-30)24-11-8-12-25(32)18-24/h5-12,18,21-22,26,32H,13-17,19-20H2,1-4H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	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