BDBM50341287 CHEMBL1766025::N'-Ethyl-aminothiazolo[5,4-b]-N-cyclopropylmethylmorphinan

SMILES: CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1

InChI Key: InChIKey=FRDUPITUKOIMGG-XTQVGHSUSA-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 = 50341287   

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))	BDBM50341287 (CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.151	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))	BDBM50341287 (CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/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	4.70	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))	BDBM50341287 (CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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))	BDBM50341287 (CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/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	120	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))	BDBM50341287 (CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...) Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r| Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/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	420	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