BDBM179896 US10287250, Compound C.14::US10752592, Compound TABLE C.0::US9133125, Table C, Compound 14::US9656961, Example 00164

SMILES: CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O

InChI Key: InChIKey=JSRNTMOLJYTAIF-RJGDCVCESA-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 = 179896   

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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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	44	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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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	44	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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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	44	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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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	44	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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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	44	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))	BDBM179896 (US10287250, Compound C.14 | US10752592, Compound T...) Show SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O |r,TLB:8:9:1:12.14.13,15:14:1:9.4.3| Show InChI InChI=1S/C20H28N2O/c1-13-17-11-14-4-5-15(18(21)23)10-16(14)20(13,3)8-9-22(17)12-19(2)6-7-19/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H2,21,23)/t13?,17?,20-/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	44	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