BDBM50341302 CHEMBL1766040::N'-Ethyl-aminothiazolo[5,4-b]-N-cyclobutylmethylmorphinan

SMILES: CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1

InChI Key: InChIKey=GNOWSJYOGJOBFL-SNYIIPAISA-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 = 50341302   

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))	BDBM50341302 (CHEMBL1766040 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r| Show InChI InChI=1S/C24H33N3S/c1-2-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-8-3-4-9-24(18,19)10-11-27(21)15-16-6-5-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting				J Med Chem 54: 1903-13 (2011) Article DOI: 10.1021/jm101542c BindingDB Entry DOI: 10.7270/Q2028SJ1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50341302 (CHEMBL1766040 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r| Show InChI InChI=1S/C24H33N3S/c1-2-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-8-3-4-9-24(18,19)10-11-27(21)15-16-6-5-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 54: 1903-13 (2011) Article DOI: 10.1021/jm101542c BindingDB Entry DOI: 10.7270/Q2028SJ1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50341302 (CHEMBL1766040 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r| Show InChI InChI=1S/C24H33N3S/c1-2-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-8-3-4-9-24(18,19)10-11-27(21)15-16-6-5-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	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 after 3 hrs by scintillation counting				J Med Chem 54: 1903-13 (2011) Article DOI: 10.1021/jm101542c BindingDB Entry DOI: 10.7270/Q2028SJ1
					More data for this Ligand-Target Pair