BDBM50341284 Aminothiazolo[5,4-b]-N-fluoropropylmorphinan::CHEMBL1766022

SMILES: Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1

InChI Key: InChIKey=HOQOWBZOEYYDGE-JNAXZKDPSA-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 = 50341284   

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))	BDBM50341284 (Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...) Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r| Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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))	BDBM50341284 (Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...) Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r| Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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))	BDBM50341284 (Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...) Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r| Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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))	BDBM50341284 (Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...) Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r| Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	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))	BDBM50341284 (Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...) Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r| Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	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