BDBM179897 US10287250, Compound 1::US10736890, Compound TABLE C.1::US10752592, Compound TABLE D.1::US9133125, Table D, Compound 1::US9656961, Example 00165

SMILES: C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O

InChI Key: InChIKey=WKSWYCJGHDWJFK-PDPGBCDDSA-N

Data: 5 KI  5 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 13 hits for monomerid = 179897   

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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	0.0830	-13.7	1.70	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	0.0830	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	0.0830	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	0.0830	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	0.0830	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	1.70	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	n/a	n/a	1.30	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	1.70	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	1.70	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	1.70	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	n/a	n/a	1.30	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))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	n/a	n/a	1.30	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179897 (US10287250, Compound 1 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O |r| Show InChI InChI=1S/C22H30N2O/c1-14(15-5-6-15)24-11-10-22-9-3-2-4-18(22)20(24)13-16-7-8-17(21(23)25)12-19(16)22/h7-8,12,14-15,18,20H,2-6,9-11,13H2,1H3,(H2,23,25)/t14-,18+,20-,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	n/a	n/a	1.30	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