BDBM179899 US10231963, Table C.3::US10287250, Compound 3::US10736890, Compound TABLE C.3::US10752592, Compound TABLE D.3::US9133125, Table D, Compound 3::US9656961, Example 00167

SMILES: C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31

InChI Key: InChIKey=PEWWIMGLMQXNCF-OHFGDUEGSA-N

Data: 6 KI  6 IC50

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 = 179899   

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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	-11.2	43	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/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	43	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/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	43	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/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	43	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/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	43	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))	BDBM179899 (US10231963, Table C.3 | US10287250, Compound 3 | U...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C22H28N2O4/c1-12(13-2-3-13)24-9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,12-13,17,26,28H,2-3,6-11H2,1H3,(H2,23,27)/t12-,17-,21-,22-/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	43	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