BindingDB PrimarySearch

BDBM50212293 (1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-4,20-diazapentacyclo[8.7.3.0^{1,9}.0^{3,7}.0^{12,17}]icosa-3(7),4,12(17),13,15-pentaen-15-ol::CHEMBL226217

SMILES: Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1

InChI Key: InChIKey=HBUZKCMRMAMMDZ-YRISNDGFSA-N

Data: 3 KI 2 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50212293
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	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	0.170	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding after 60 min...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	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	0.340	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	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	0.400	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	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	0.610	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintilla...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Show InChI	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding				J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair