null

SMILES: O=C(CCCCCCCCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=NECZJXMKLZJLMV-NFPFDFKCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50180178   

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))	BDBM50180178 (CHEMBL201220 | bis-(3-amino-(-)-N-cyclobutylmethyl...) Show SMILES O=C(CCCCCCCCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C52H74N4O2/c57-49(53-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-55(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(58)54-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-56(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2,(H,53,57)(H,54,58)/t43?,44?,47-,48-,51-,52-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50180178 (CHEMBL201220 | bis-(3-amino-(-)-N-cyclobutylmethyl...) Show SMILES O=C(CCCCCCCCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C52H74N4O2/c57-49(53-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-55(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(58)54-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-56(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2,(H,53,57)(H,54,58)/t43?,44?,47-,48-,51-,52-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50180178 (CHEMBL201220 | bis-(3-amino-(-)-N-cyclobutylmethyl...) Show SMILES O=C(CCCCCCCCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 Show InChI InChI=1S/C52H74N4O2/c57-49(53-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-55(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(58)54-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-56(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2,(H,53,57)(H,54,58)/t43?,44?,47-,48-,51-,52-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
					More data for this Ligand-Target Pair