BDBM86960 (S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-propionyl}-amino)-3-phenyl-propionic acid::CAS_44453825::NSC_44453825

SMILES: CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1

InChI Key: InChIKey=QIDWLHXLGKPNAX-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 = 86960   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM86960 ((S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydrox...) Show SMILES CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C38H42N2O4/c1-28-26-39(23-21-38(28,2)33-14-9-15-34(41)25-33)22-20-36(42)40(35(37(43)44)24-29-10-5-3-6-11-29)27-30-16-18-32(19-17-30)31-12-7-4-8-13-31/h3-19,25,28,35,41H,20-24,26-27H2,1-2H3,(H,43,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM86960 ((S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydrox...) Show SMILES CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C38H42N2O4/c1-28-26-39(23-21-38(28,2)33-14-9-15-34(41)25-33)22-20-36(42)40(35(37(43)44)24-29-10-5-3-6-11-29)27-30-16-18-32(19-17-30)31-12-7-4-8-13-31/h3-19,25,28,35,41H,20-24,26-27H2,1-2H3,(H,43,44)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	74	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))	BDBM86960 ((S)-2-(biphenyl-4-ylmethyl-{3-[(3R,4R)-4-(3-hydrox...) Show SMILES CC1CN(CCC(=O)N(Cc2ccc(cc2)-c2ccccc2)C(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C38H42N2O4/c1-28-26-39(23-21-38(28,2)33-14-9-15-34(41)25-33)22-20-36(42)40(35(37(43)44)24-29-10-5-3-6-11-29)27-30-16-18-32(19-17-30)31-12-7-4-8-13-31/h3-19,25,28,35,41H,20-24,26-27H2,1-2H3,(H,43,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	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