BDBM86966 (S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)-3-phenylpropanoic acid::CAS_44453881::NSC_44453881

SMILES: CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1

InChI Key: InChIKey=UQARLGBGMHPDGU-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 = 86966   

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))	BDBM86966 ((S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydro...) Show SMILES CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C29H38N2O4/c1-21-19-30(16-14-29(21,2)24-9-6-10-25(32)18-24)15-13-27(33)31(20-23-11-12-23)26(28(34)35)17-22-7-4-3-5-8-22/h3-10,18,21,23,26,32H,11-17,19-20H2,1-2H3,(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	22	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))	BDBM86966 ((S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydro...) Show SMILES CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C29H38N2O4/c1-21-19-30(16-14-29(21,2)24-9-6-10-25(32)18-24)15-13-27(33)31(20-23-11-12-23)26(28(34)35)17-22-7-4-3-5-8-22/h3-10,18,21,23,26,32H,11-17,19-20H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	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))	BDBM86966 ((S)-2-(N-(cyclopropylmethyl)-3-((3R,4R)-4-(3-hydro...) Show SMILES CC1CN(CCC(=O)N(CC2CC2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C29H38N2O4/c1-21-19-30(16-14-29(21,2)24-9-6-10-25(32)18-24)15-13-27(33)31(20-23-11-12-23)26(28(34)35)17-22-7-4-3-5-8-22/h3-10,18,21,23,26,32H,11-17,19-20H2,1-2H3,(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