BDBM50303610 2-(N-n-Propyl)aminomethyl-3-hydroxy-17-N-cyclobutylmethylmorphinan::CHEMBL583265

SMILES: CCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O

InChI Key: InChIKey=XCNXSKUANFFFIK-QQKQFIJSSA-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 = 50303610   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303610 (2-(N-n-Propyl)aminomethyl-3-hydroxy-17-N-cyclobuty...) Show SMILES CCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:19:18:7.24.8:10| Show InChI InChI=1S/C25H38N2O/c1-2-11-26-16-20-13-19-14-23-21-8-3-4-9-25(21,22(19)15-24(20)28)10-12-27(23)17-18-6-5-7-18/h13,15,18,21,23,26,28H,2-12,14,16-17H2,1H3/t21-,23+,25+/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	330	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303610 (2-(N-n-Propyl)aminomethyl-3-hydroxy-17-N-cyclobuty...) Show SMILES CCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:19:18:7.24.8:10| Show InChI InChI=1S/C25H38N2O/c1-2-11-26-16-20-13-19-14-23-21-8-3-4-9-25(21,22(19)15-24(20)28)10-12-27(23)17-18-6-5-7-18/h13,15,18,21,23,26,28H,2-12,14,16-17H2,1H3/t21-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303610 (2-(N-n-Propyl)aminomethyl-3-hydroxy-17-N-cyclobuty...) Show SMILES CCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:19:18:7.24.8:10| Show InChI InChI=1S/C25H38N2O/c1-2-11-26-16-20-13-19-14-23-21-8-3-4-9-25(21,22(19)15-24(20)28)10-12-27(23)17-18-6-5-7-18/h13,15,18,21,23,26,28H,2-12,14,16-17H2,1H3/t21-,23+,25+/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