null

SMILES: NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=YFSMHTBENRCTNZ-FIALGKLESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 179903   

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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	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 US10736890 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-13.6	1.5	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	1.5	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	1.5	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 US10736890 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	0.890	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	0.890	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	0.890	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	1.5	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	0.890	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	1.5	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))	BDBM179903 (US10231963, Table C.7 | US10287250, Compound D.7 |...) Show SMILES NC(=O)c1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |r| Show InChI InChI=1S/C21H28N2O/c22-20(24)16-7-6-15-12-19-17-3-1-2-8-21(17,18(15)11-16)9-10-23(19)13-14-4-5-14/h6-7,11,14,17,19H,1-5,8-10,12-13H2,(H2,22,24)/t17?,19-,21-/m1/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	0.890	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