BDBM50017507 CHEMBL553665::Pentanedioic acid bis-(1-{2-[(2-benzofuran-4-yl-acetyl)-methyl-amino]-cyclohexyl}-pyrrolidin-3-ylmethyl) ester;Dihydrochloride

SMILES: CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12

InChI Key: InChIKey=LIKMUGOIKFZCQA-OKYZGBHRSA-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 = 50017507   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50017507 (CHEMBL553665 | Pentanedioic acid bis-(1-{2-[(2-ben...) Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C49H64N4O8/c1-50(46(54)28-36-10-7-16-44-38(36)22-26-58-44)40-12-3-5-14-42(40)52-24-20-34(30-52)32-60-48(56)18-9-19-49(57)61-33-35-21-25-53(31-35)43-15-6-4-13-41(43)51(2)47(55)29-37-11-8-17-45-39(37)23-27-59-45/h7-8,10-11,16-17,22-23,26-27,34-35,40-43H,3-6,9,12-15,18-21,24-25,28-33H2,1-2H3/t34?,35?,40-,41+,42-,43+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor kappa was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50017507 (CHEMBL553665 | Pentanedioic acid bis-(1-{2-[(2-ben...) Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C49H64N4O8/c1-50(46(54)28-36-10-7-16-44-38(36)22-26-58-44)40-12-3-5-14-42(40)52-24-20-34(30-52)32-60-48(56)18-9-19-49(57)61-33-35-21-25-53(31-35)43-15-6-4-13-41(43)51(2)47(55)29-37-11-8-17-45-39(37)23-27-59-45/h7-8,10-11,16-17,22-23,26-27,34-35,40-43H,3-6,9,12-15,18-21,24-25,28-33H2,1-2H3/t34?,35?,40-,41+,42-,43+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair