BDBM179875 US10231963, Table B.21::US10752592, Compound TABLE B.3::US9133125, Table B, Compound 3::US9656961, Example 00138

SMILES: NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O

InChI Key: InChIKey=QTCGTXSVMPVICZ-YYDVJCTNSA-N

Data: 4 KI  4 IC50  4 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 11 hits for monomerid = 179875   

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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0970	-13.7	1.30	n/a	n/a	n/a	n/a	7.5	25
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...				US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0970	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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0970	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 μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10752592 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0970	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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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 μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10752592 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.530	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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.530	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))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10752592 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179875 (US10231963, Table B.21 | US10752592, Compound TABL...) Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O |r| Show InChI InChI=1S/C23H30N2O2/c1-14-5-8-18-19-11-16-6-7-17(22(24)27)21(26)20(16)23(18,12-14)9-10-25(19)13-15-3-2-4-15/h6-7,15,18-19,26H,1-5,8-13H2,(H2,24,27)/t18-,19+,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.530	n/a	n/a	7.4	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...				US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB
					More data for this Ligand-Target Pair