BDBM50017510 CHEMBL540277::Succinic 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)CCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12

InChI Key: InChIKey=CBYNCYCFPADTOK-NXHDTTHVSA-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 = 50017510   

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))	BDBM50017510 (CHEMBL540277 | Succinic acid bis-(1-{2-[(2-benzofu...) Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C48H62N4O8/c1-49(45(53)27-35-9-7-15-43-37(35)21-25-57-43)39-11-3-5-13-41(39)51-23-19-33(29-51)31-59-47(55)17-18-48(56)60-32-34-20-24-52(30-34)42-14-6-4-12-40(42)50(2)46(54)28-36-10-8-16-44-38(36)22-26-58-44/h7-10,15-16,21-22,25-26,33-34,39-42H,3-6,11-14,17-20,23-24,27-32H2,1-2H3/t33?,34?,39-,40+,41-,42+	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))	BDBM50017510 (CHEMBL540277 | Succinic acid bis-(1-{2-[(2-benzofu...) Show SMILES CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12 Show InChI InChI=1S/C48H62N4O8/c1-49(45(53)27-35-9-7-15-43-37(35)21-25-57-43)39-11-3-5-13-41(39)51-23-19-33(29-51)31-59-47(55)17-18-48(56)60-32-34-20-24-52(30-34)42-14-6-4-12-40(42)50(2)46(54)28-36-10-8-16-44-38(36)22-26-58-44/h7-10,15-16,21-22,25-26,33-34,39-42H,3-6,11-14,17-20,23-24,27-32H2,1-2H3/t33?,34?,39-,40+,41-,42+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	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