BDBM50341294 CHEMBL1766032::N'-(3-Hydroxybenzyl)-aminothiazolo[5,4-b]-N-cyclopropylmethyl-morphinan

SMILES: Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1

InChI Key: InChIKey=LBJQLPJWKUBKAZ-UTOLSJPLSA-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 = 50341294   

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))	BDBM50341294 (CHEMBL1766032 | N'-(3-Hydroxybenzyl)-aminothiazolo...) Show SMILES Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16| Show InChI InChI=1S/C28H33N3OS/c32-21-5-3-4-19(12-21)16-29-27-30-24-15-23-20(14-26(24)33-27)13-25-22-6-1-2-9-28(22,23)10-11-31(25)17-18-7-8-18/h3-5,12,14-15,18,22,25,32H,1-2,6-11,13,16-17H2,(H,29,30)/t22-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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))	BDBM50341294 (CHEMBL1766032 | N'-(3-Hydroxybenzyl)-aminothiazolo...) Show SMILES Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16| Show InChI InChI=1S/C28H33N3OS/c32-21-5-3-4-19(12-21)16-29-27-30-24-15-23-20(14-26(24)33-27)13-25-22-6-1-2-9-28(22,23)10-11-31(25)17-18-7-8-18/h3-5,12,14-15,18,22,25,32H,1-2,6-11,13,16-17H2,(H,29,30)/t22-,25+,28+/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	9.90	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))	BDBM50341294 (CHEMBL1766032 | N'-(3-Hydroxybenzyl)-aminothiazolo...) Show SMILES Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16| Show InChI InChI=1S/C28H33N3OS/c32-21-5-3-4-19(12-21)16-29-27-30-24-15-23-20(14-26(24)33-27)13-25-22-6-1-2-9-28(22,23)10-11-31(25)17-18-7-8-18/h3-5,12,14-15,18,22,25,32H,1-2,6-11,13,16-17H2,(H,29,30)/t22-,25+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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