BDBM50276568 CHEMBL1685::DEZOCINE::Dalgan::US10231963, Table B.7::US9656961, Example 00124::WY-16225

SMILES: C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N

InChI Key: InChIKey=VTMVHDZWSFQSQP-VBNZEHGJSA-N

Data: 2 KI  2 IC50  3 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 7 hits for monomerid = 50276568   

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))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276568 (CHEMBL1685 | DEZOCINE | Dalgan | US10231963, Table...) Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r| Show InChI InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				US Patent US9656961 (2017) BindingDB Entry DOI: 10.7270/Q2PR7Z13
					More data for this Ligand-Target Pair