BDBM50341299 CHEMBL1766037::N'-Acetyl-N'-methyl-aminothiazolo[5,4-b]-Ncyclopropylmethyl-morphinan

SMILES: CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1

InChI Key: InChIKey=GBATZJZSCXUUHJ-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 = 50341299   

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))	BDBM50341299 (CHEMBL1766037 | N'-Acetyl-N'-methyl-aminothiazolo[...) Show SMILES CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C24H31N3OS/c1-15(28)26(2)23-25-20-13-19-17(12-22(20)29-23)11-21-18-5-3-4-8-24(18,19)9-10-27(21)14-16-6-7-16/h12-13,16,18,21H,3-11,14H2,1-2H3/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	6.90	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))	BDBM50341299 (CHEMBL1766037 | N'-Acetyl-N'-methyl-aminothiazolo[...) Show SMILES CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C24H31N3OS/c1-15(28)26(2)23-25-20-13-19-17(12-22(20)29-23)11-21-18-5-3-4-8-24(18,19)9-10-27(21)14-16-6-7-16/h12-13,16,18,21H,3-11,14H2,1-2H3/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	110	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))	BDBM50341299 (CHEMBL1766037 | N'-Acetyl-N'-methyl-aminothiazolo[...) Show SMILES CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C24H31N3OS/c1-15(28)26(2)23-25-20-13-19-17(12-22(20)29-23)11-21-18-5-3-4-8-24(18,19)9-10-27(21)14-16-6-7-16/h12-13,16,18,21H,3-11,14H2,1-2H3/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	1.10E+3	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