BDBM50341292 CHEMBL1766030::N'-Benzyl-aminothiazolo[5,4-b]-N-cyclopropylmethylmorphinan

SMILES: C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1

InChI Key: InChIKey=AWCPMZHAUCJKHX-UTOLSJPLSA-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 = 50341292   

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))	BDBM50341292 (CHEMBL1766030 | N'-Benzyl-aminothiazolo[5,4-b]-N-c...) Show SMILES C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10| Show InChI InChI=1S/C28H33N3S/c1-2-6-19(7-3-1)17-29-27-30-24-16-23-21(15-26(24)32-27)14-25-22-8-4-5-11-28(22,23)12-13-31(25)18-20-9-10-20/h1-3,6-7,15-16,20,22,25H,4-5,8-14,17-18H2,(H,29,30)/t22-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50341292 (CHEMBL1766030 | N'-Benzyl-aminothiazolo[5,4-b]-N-c...) Show SMILES C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10| Show InChI InChI=1S/C28H33N3S/c1-2-6-19(7-3-1)17-29-27-30-24-16-23-21(15-26(24)32-27)14-25-22-8-4-5-11-28(22,23)12-13-31(25)18-20-9-10-20/h1-3,6-7,15-16,20,22,25H,4-5,8-14,17-18H2,(H,29,30)/t22-,25+,28+/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	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50341292 (CHEMBL1766030 | N'-Benzyl-aminothiazolo[5,4-b]-N-c...) Show SMILES C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10| Show InChI InChI=1S/C28H33N3S/c1-2-6-19(7-3-1)17-29-27-30-24-16-23-21(15-26(24)32-27)14-25-22-8-4-5-11-28(22,23)12-13-31(25)18-20-9-10-20/h1-3,6-7,15-16,20,22,25H,4-5,8-14,17-18H2,(H,29,30)/t22-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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