BDBM50341286 CHEMBL1766024::N'-Methylaminothiazolo[5,4-b]-N-cyclopropylmethylmorphinan

SMILES: CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1

InChI Key: InChIKey=NQUGQFFOHDQSRF-DKZVUGQWSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50341286   

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))	BDBM50341286 (CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...) Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0660	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))	BDBM50341286 (CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...) Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/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	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]DAMGO from human mu 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))	BDBM50341286 (CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...) Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50341286 (CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...) Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	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))	BDBM50341286 (CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...) Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/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	n/a	n/a	n/a	n/a	47	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