BDBM50341300 CHEMBL1766038::N'-Acetyl-N'-ethyl-amino-thiazolo[5,4-b]-Ncyclopropylmethyl-morphinan

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

InChI Key: InChIKey=IIQBOCVWMALJKQ-UWUFEASWSA-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 = 50341300   

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))	BDBM50341300 (CHEMBL1766038 | N'-Acetyl-N'-ethyl-amino-thiazolo[...) Show SMILES CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14| Show InChI InChI=1S/C25H33N3OS/c1-3-28(16(2)29)24-26-21-14-20-18(13-23(21)30-24)12-22-19-6-4-5-9-25(19,20)10-11-27(22)15-17-7-8-17/h13-14,17,19,22H,3-12,15H2,1-2H3/t19-,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50341300 (CHEMBL1766038 | N'-Acetyl-N'-ethyl-amino-thiazolo[...) Show SMILES CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14| Show InChI InChI=1S/C25H33N3OS/c1-3-28(16(2)29)24-26-21-14-20-18(13-23(21)30-24)12-22-19-6-4-5-9-25(19,20)10-11-27(22)15-17-7-8-17/h13-14,17,19,22H,3-12,15H2,1-2H3/t19-,22+,25+/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	86	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))	BDBM50341300 (CHEMBL1766038 | N'-Acetyl-N'-ethyl-amino-thiazolo[...) Show SMILES CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14| Show InChI InChI=1S/C25H33N3OS/c1-3-28(16(2)29)24-26-21-14-20-18(13-23(21)30-24)12-22-19-6-4-5-9-25(19,20)10-11-27(22)15-17-7-8-17/h13-14,17,19,22H,3-12,15H2,1-2H3/t19-,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	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