BDBM179886 US10287250, Compound C.4::US10752592, Compound TABLE C.-10::US9133125, Table C, Compound 4::US9656961, Example 00150

SMILES: CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O

InChI Key: InChIKey=BYGCDFRQFJKYAY-WBAAUIMVSA-N

Data: 4 KI  4 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 11 hits for monomerid = 179886   

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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	-11.4	210	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	210	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	210	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	84	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	210	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	84	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	84	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))	BDBM179886 (US10287250, Compound C.4 | US10752592, Compound TA...) Show SMILES CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O |r,TLB:16:15:1:10.4.3,9:10:1:13.15.14| Show InChI InChI=1S/C18H27NO2/c1-12-16-9-13-5-6-14(20)10-15(13)18(12,4)7-8-19(16)11-17(2,3)21/h5-6,10,12,16,20-21H,7-9,11H2,1-4H3/t12?,16?,18-/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	84	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