BDBM50303609 2-(Aminomethyl)-3-hydroxy-17-N-cyclobutylmethylmorphinan::CHEMBL568830

SMILES: NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O

InChI Key: InChIKey=BVZDPPQQURIBAR-CZTZKLFOSA-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 = 50303609   

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))	BDBM50303609 (2-(Aminomethyl)-3-hydroxy-17-N-cyclobutylmethylmor...) Show SMILES NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r| Show InChI InChI=1S/C22H32N2O/c23-13-17-10-16-11-20-18-6-1-2-7-22(18,19(16)12-21(17)25)8-9-24(20)14-15-4-3-5-15/h10,12,15,18,20,25H,1-9,11,13-14,23H2/t18-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303609 (2-(Aminomethyl)-3-hydroxy-17-N-cyclobutylmethylmor...) Show SMILES NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r| Show InChI InChI=1S/C22H32N2O/c23-13-17-10-16-11-20-18-6-1-2-7-22(18,19(16)12-21(17)25)8-9-24(20)14-15-4-3-5-15/h10,12,15,18,20,25H,1-9,11,13-14,23H2/t18-,20+,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	290	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				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303609 (2-(Aminomethyl)-3-hydroxy-17-N-cyclobutylmethylmor...) Show SMILES NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r| Show InChI InChI=1S/C22H32N2O/c23-13-17-10-16-11-20-18-6-1-2-7-22(18,19(16)12-21(17)25)8-9-24(20)14-15-4-3-5-15/h10,12,15,18,20,25H,1-9,11,13-14,23H2/t18-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
					More data for this Ligand-Target Pair