BDBM179900 US10231963, Table C.4::US10287250, Compound 4::US10736890, Compound TABLE C.4::US10752592, Compound TABLE D.4::US9133125, Table D, Compound 4::US9656961, Example 00168

SMILES: C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31

InChI Key: InChIKey=JWIGXHPEGWQVAB-HUDPDHSWSA-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 = 179900   

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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-12.2	38	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/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	38	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/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	38	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/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	38	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/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	38	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))	BDBM179900 (US10231963, Table C.4 | US10287250, Compound 4 | U...) Show SMILES C[C@H](C1CCC1)N1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r| Show InChI InChI=1S/C23H30N2O4/c1-13(14-3-2-4-14)25-10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22/h5-6,13-14,18,27,29H,2-4,7-12H2,1H3,(H2,24,28)/t13-,18-,22-,23-/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	38	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