BDBM50341308 CHEMBL1766021::N-methyl-3-aminothiazolo-morphinan::US10766864, Example 115

SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31

InChI Key: InChIKey=MFCKRIRSBAZCHR-WBHUJUFNSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50341308   

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))	BDBM50341308 (CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9| Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50341308 (CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9| Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	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))	BDBM50341308 (CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9| Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50341308 (CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan...) Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9| Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Affinities of various compounds were measured in vitro using competitive radioligand binding assays. Serial dilutions of test compounds were incubate...				US Patent US10766864 (2020)
					More data for this Ligand-Target Pair