BDBM179901 US10231963, Table C.5::US10287250, Compound 14::US10736890, Compound TABLE C.5::US10752592, Compound TABLE D.5::US9133125, Table D, Compound 14::US9656961, Example 00169

SMILES: COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O

InChI Key: InChIKey=SITDOBWLTOMKHJ-BJOOFOGMSA-N

Data: 6 KI  6 IC50  5 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 16 hits for monomerid = 179901   

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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	-13.5	14	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	14	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	14	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	2.20	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	2.20	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	14	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	2.20	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	14	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	2.20	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	14	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))	BDBM179901 (US10231963, Table C.5 | US10287250, Compound 14 | ...) Show SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O |r,TLB:3:4:9:18.13.12| Show InChI InChI=1S/C18H26N2O2/c1-12-16-11-13-4-5-14(17(19)21)10-15(13)18(12,2)6-7-20(16)8-9-22-3/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,19,21)/t12-,16+,18+/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	2.20	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