Compile Data Set for Download or QSAR

Found 393 hits with Last Name = 'alvarez' and Initial = 'jc'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM438941 (US10604489, Compound 102 | US11180455, Compound 10...) Show SMILES COC1(C2CCCC1CN(C[C@H]1C[C@@H]3C[C@@H]3C1)C2)c1ccnc(c1)C(N)=O |r,TLB:18:2:5.4.6:8.17.9,10:9:2:5.4.6,THB:1:2:5.4.6:8.17.9| Show InChI InChI=1S/C22H31N3O2/c1-27-22(17-5-6-24-20(10-17)21(23)26)18-3-2-4-19(22)13-25(12-18)11-14-7-15-9-16(15)8-14/h5-6,10,14-16,18-19H,2-4,7-9,11-13H2,1H3,(H2,23,26)/t14-,15+,16-,18?,19?,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438943 (US10604489, Compound 104 | US11180455, Compound 10...) Show SMILES COC1(C2CCCC1CN(C[C@@H]1C[C@@H]3C[C@@H]3C1)C2)c1ccnc(c1)C(N)=O |r,TLB:18:2:5.4.6:8.17.9,10:9:2:5.4.6,THB:1:2:5.4.6:8.17.9| Show InChI InChI=1S/C22H31N3O2/c1-27-22(17-5-6-24-20(10-17)21(23)26)18-3-2-4-19(22)13-25(12-18)11-14-7-15-9-16(15)8-14/h5-6,10,14-16,18-19H,2-4,7-9,11-13H2,1H3,(H2,23,26)/t14-,15-,16+,18?,19?,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438945 (US10604489, Compound 106 | US11180455, Compound 10...) Show SMILES COC1(C2CCCC1CN(C2)C12CC(C1)(C2)c1ccccc1)c1ccnc(c1)C(N)=O |TLB:22:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C26H31N3O2/c1-31-26(19-10-11-28-22(12-19)23(27)30)20-8-5-9-21(26)14-29(13-20)25-15-24(16-25,17-25)18-6-3-2-4-7-18/h2-4,6-7,10-12,20-21H,5,8-9,13-17H2,1H3,(H2,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438948 (US10604489, Compound 109 | US11180455, Compound 10...) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CC[C@H]1c1ccccc1)c1ccnc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,21:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C25H31N3O2/c1-30-25(18-12-13-27-22(14-18)24(26)29)19-8-5-9-20(25)16-28(15-19)23-11-10-21(23)17-6-3-2-4-7-17/h2-4,6-7,12-14,19-21,23H,5,8-11,15-16H2,1H3,(H2,26,29)/t19?,20?,21-,23+,25?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438958 (4-((1R,5S,9r)-3-((1H-indol-2-yl)methyl)-9-methoxy-...) Show SMILES COC1(C2CCCC1CN(Cc1cc3ccccc3[nH]1)C2)c1ccnc(c1)C(N)=O |TLB:21:2:5.4.6:8.20.9,10:9:2:5.4.6,THB:1:2:5.4.6:8.20.9| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438965 (4-((1R,5S,9r)-3-((1H-indol-3-yl)methyl)-9-methoxy-...) Show SMILES COC1(C2CCCC1CN(Cc1c[nH]c3ccccc13)C2)c1ccnc(c1)C(N)=O |TLB:10:9:2:5.4.6,21:2:5.4.6:8.20.9,THB:1:2:5.4.6:8.20.9| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438967 (3-((1R,5S,9r)-9-methoxy-3-(2-methoxyethyl)-3-azabi...) Show SMILES COCCN1CC2CCCC(C1)C2(OC)c1cccc(c1)C(N)=O |TLB:15:12:8.7.9:11.5.4,THB:3:4:12:8.7.9,13:12:8.7.9:11.5.4| Show InChI InChI=1S/C19H28N2O3/c1-23-10-9-21-12-16-7-4-8-17(13-21)19(16,24-2)15-6-3-5-14(11-15)18(20)22/h3,5-6,11,16-17H,4,7-10,12-13H2,1-2H3,(H2,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438968 (3-((1R,5S,9r)-9-methoxy-3-(spiro[3.3]heptan-2-yl)-...) Show SMILES COC1(C2CCCC1CN(C2)C1CC2(CCC2)C1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C23H32N2O2/c1-27-23(17-6-2-5-16(11-17)21(24)26)18-7-3-8-19(23)15-25(14-18)20-12-22(13-20)9-4-10-22/h2,5-6,11,18-20H,3-4,7-10,12-15H2,1H3,(H2,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438969 (US10604489, Compound 130 | US11180455, Compound 13...) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H](C)C1)c1ccnc(c1)C(N)=O |r,wU:11.12,13.15,TLB:11:9:2:5.4.6,16:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9,(2.15,-2.77,;.81,-2,;.81,-.46,;.02,.85,;.01,2.38,;-1.47,2.77,;-.67,1.46,;-.67,-.07,;-2.16,-.46,;-2.93,.87,;-1.45,.48,;-4.26,.1,;-5.75,.5,;-6.15,-.99,;-7.48,-1.76,;-4.66,-1.38,;2.15,.31,;2.15,1.85,;3.48,2.62,;4.81,1.85,;4.81,.31,;3.48,-.46,;6.15,-.46,;7.48,.31,;6.15,-2,)| Show InChI InChI=1S/C20H29N3O2/c1-13-8-17(9-13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-6-7-22-18(10-14)19(21)24/h6-7,10,13,15-17H,3-5,8-9,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,17+,20?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438972 (3-((1R,5S,9r)-9-methoxy-3-(2-oxaspiro[3.3]heptan-6...) Show SMILES COC1(C2CCCC1CN(C2)C1CC2(COC2)C1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C22H30N2O3/c1-26-22(16-5-2-4-15(8-16)20(23)25)17-6-3-7-18(22)12-24(11-17)19-9-21(10-19)13-27-14-21/h2,4-5,8,17-19H,3,6-7,9-14H2,1H3,(H2,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438973 (4-((1R,5S,9S)-9-methoxy-3-((S)-pentan-2-yl)-3-azab...) Show SMILES CCC[C@H](C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O |r,TLB:16:13:9.8.10:12.6.5,THB:3:5:13:9.8.10,14:13:9.8.10:12.6.5| Show InChI InChI=1S/C20H31N3O2/c1-4-6-14(2)23-12-16-7-5-8-17(13-23)20(16,25-3)15-9-10-22-18(11-15)19(21)24/h9-11,14,16-17H,4-8,12-13H2,1-3H3,(H2,21,24)/t14-,16?,17?,20?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438977 (3-((1R,5S,9r)-3-(2-cyclopropylethyl)-9-methoxy-3-a...) Show SMILES COC1(C2CCCC1CN(CCC1CC1)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,16:2:5.4.6:8.15.9,THB:1:2:5.4.6:8.15.9| Show InChI InChI=1S/C21H30N2O2/c1-25-21(17-5-2-4-16(12-17)20(22)24)18-6-3-7-19(21)14-23(13-18)11-10-15-8-9-15/h2,4-5,12,15,18-19H,3,6-11,13-14H2,1H3,(H2,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438978 (US10604489, Compound 139 | US11180455, Compound 13...) Show SMILES CO[C@H]1C[C@H](C1)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O |r,wU:4.6,2.1,TLB:17:14:10.9.11:13.7.6,THB:4:6:14:10.9.11,15:14:10.9.11:13.7.6,(-8.15,-.9,;-6.81,-1.67,;-5.48,-.9,;-5.08,.59,;-3.59,.19,;-3.99,-1.29,;-2.26,.96,;-.78,.57,;.69,.94,;.68,2.47,;-.8,2.86,;-.01,1.55,;-0,.02,;-1.49,-.37,;1.48,-.37,;1.48,-1.91,;2.81,-2.68,;2.81,.4,;2.81,1.94,;4.15,2.71,;5.48,1.94,;5.48,.4,;4.15,-.37,;6.81,-.37,;8.15,.4,;6.81,-1.91,)| Show InChI InChI=1S/C20H29N3O3/c1-25-17-9-16(10-17)23-11-14-4-3-5-15(12-23)20(14,26-2)13-6-7-22-18(8-13)19(21)24/h6-8,14-17H,3-5,9-12H2,1-2H3,(H2,21,24)/t14?,15?,16-,17+,20?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438979 (US10604489, Compound 140 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CCCOC1)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,17:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-6-2-5-15(11-16)20(22)24)17-7-3-8-18(21)13-23(12-17)19-9-4-10-26-14-19/h2,5-6,11,17-19H,3-4,7-10,12-14H2,1H3,(H2,22,24)/t17?,18?,19-,21?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438980 (US10604489, Compound 141 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CCCOC1)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,17:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-6-2-5-15(11-16)20(22)24)17-7-3-8-18(21)13-23(12-17)19-9-4-10-26-14-19/h2,5-6,11,17-19H,3-4,7-10,12-14H2,1H3,(H2,22,24)/t17?,18?,19-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438981 (4-((1R,5S,9r)-3-((1H-indazol-3-yl)methyl)-9-methox...) Show SMILES COC1(C2CCCC1CN(Cc1n[nH]c3ccccc13)C2)c1ccnc(c1)C(N)=O |TLB:10:9:2:5.4.6,21:2:5.4.6:8.20.9,THB:1:2:5.4.6:8.20.9| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438982 (US10604489, Compound 143 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C[C@@H]1CCOC1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,17:2:5.4.6:8.16.9,THB:1:2:5.4.6:8.16.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(17-5-2-4-16(10-17)20(22)24)18-6-3-7-19(21)13-23(12-18)11-15-8-9-26-14-15/h2,4-5,10,15,18-19H,3,6-9,11-14H2,1H3,(H2,22,24)/t15-,18?,19?,21?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438983 (4-((1R,5S,9s)-9-methoxy-3-((1S,2S)-2-methylcyclobu...) Show SMILES COC1(C2CCCC1CN(C2)C1CC[C@H]1C)c1ccnc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,16:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C20H29N3O2/c1-13-6-7-18(13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-8-9-22-17(10-14)19(21)24/h8-10,13,15-16,18H,3-7,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,18?,20?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438985 (US10604489, Compound 148 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C[C@H]1CCOC1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,17:2:5.4.6:8.16.9,THB:1:2:5.4.6:8.16.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(17-5-2-4-16(10-17)20(22)24)18-6-3-7-19(21)13-23(12-18)11-15-8-9-26-14-15/h2,4-5,10,15,18-19H,3,6-9,11-14H2,1H3,(H2,22,24)/t15-,18?,19?,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438986 (3-((1R,5S,9r)-9-methoxy-34(2-methyl-1H-imidazol-4-...) Show SMILES COC1(C2CCCC1CN(Cc1cnc(C)[nH]1)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438988 (3-((1R,5S,9r)-9-methoxy-3-(1-phenylazetidin-3-yl)-...) Show SMILES COC1(C2CCCC1CN(C2)C1CN(C1)c1ccccc1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,21:2:9.8.10:5.4.6,THB:1:2:9.8.10:5.4.6| Show InChI InChI=1S/C25H31N3O2/c1-30-25(19-8-5-7-18(13-19)24(26)29)20-9-6-10-21(25)15-27(14-20)23-16-28(17-23)22-11-3-2-4-12-22/h2-5,7-8,11-13,20-21,23H,6,9-10,14-17H2,1H3,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438989 (US10604489, Compound 152 | US11180455, Compound 15...) Show SMILES COC1(C2CCCC1CN(C[C@H]1C[C@@H]3C[C@@H]3C1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI InChI=1S/C23H32N2O2/c1-27-23(19-5-2-4-16(11-19)22(24)26)20-6-3-7-21(23)14-25(13-20)12-15-8-17-10-18(17)9-15/h2,4-5,11,15,17-18,20-21H,3,6-10,12-14H2,1H3,(H2,24,26)/t15-,17+,18-,20?,21?,23?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438990 (4-((1R,5S,9r)-9-methoxy-3-((5-methyl-1H-imidazol-2...) Show SMILES COC1(C2CCCC1CN(Cc1cnc(C)[nH]1)C2)c1ccnc(c1)C(N)=O |TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438991 (3-((1R,5S,9r)-3-((1H-indazol-3-yl)methyl)-9-methox...) Show SMILES COC1(C2CCCC1CN(Cc1n[nH]c3ccccc13)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,21:2:9.8.20:5.4.6,THB:1:2:9.8.20:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438992 (3-((1R,5S,9r)-3-(but-3-yn-1-yl)-9-methoxy-3-azabic...) Show SMILES COC1(C2CCCC1CN(CCc1cnn[nH]1)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438993 (US10604489, Compound 156 | US11180455, Compound 15...) Show SMILES COC1(C2CCCC1CN(C[C@@H]1C[C@@H]3C[C@@H]3C1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI InChI=1S/C23H32N2O2/c1-27-23(19-5-2-4-16(11-19)22(24)26)20-6-3-7-21(23)14-25(13-20)12-15-8-17-10-18(17)9-15/h2,4-5,11,15,17-18,20-21H,3,6-10,12-14H2,1H3,(H2,24,26)/t15-,17-,18+,20?,21?,23?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438994 (3-((1R,5S,9r)-3-(3-fluoropropyl)-9-methoxy-3-azabi...) Show SMILES COC1(C2CCCC1CN(CCCF)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,15:2:9.8.14:5.4.6,THB:1:2:9.8.14:5.4.6| Show InChI InChI=1S/C19H27FN2O2/c1-24-19(15-6-2-5-14(11-15)18(21)23)16-7-3-8-17(19)13-22(12-16)10-4-9-20/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3,(H2,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438996 (US10604489, Compound 175 | US11180455, Compound 17...) Show SMILES COC1(C2CCCC1CN(C[C@@H]1[C@@H]3COC[C@H]13)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI InChI=1S/C22H30N2O3/c1-26-22(15-5-2-4-14(8-15)21(23)25)16-6-3-7-17(22)10-24(9-16)11-18-19-12-27-13-20(18)19/h2,4-5,8,16-20H,3,6-7,9-13H2,1H3,(H2,23,25)/t16?,17?,18-,19+,20-,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438997 (US10604489, Compound 176 | US11180455, Compound 17...) Show SMILES COC1(C2CCCC1CN(C[C@H]1[C@@H]3COC[C@H]13)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI InChI=1S/C22H30N2O3/c1-26-22(15-5-2-4-14(8-15)21(23)25)16-6-3-7-17(22)10-24(9-16)11-18-19-12-27-13-20(18)19/h2,4-5,8,16-20H,3,6-7,9-13H2,1H3,(H2,23,25)/t16?,17?,18-,19-,20+,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438998 (US10604489, Compound 159 | US11180455, Compound 15...) Show SMILES COC1(C2CCCC1CN(CCC(F)F)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,16:2:9.8.15:5.4.6,THB:1:2:9.8.15:5.4.6| Show InChI InChI=1S/C19H26F2N2O2/c1-25-19(14-5-2-4-13(10-14)18(22)24)15-6-3-7-16(19)12-23(11-15)9-8-17(20)21/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3,(H2,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438844 (3-((1R,5S,9r)-3-(4,4-difluorocyclohexyl)-9-methoxy...) Show SMILES COC1(C2CCCC1CN(C2)C1CCC(F)(F)CC1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C22H30F2N2O2/c1-28-22(16-5-2-4-15(12-16)20(25)27)17-6-3-7-18(22)14-26(13-17)19-8-10-21(23,24)11-9-19/h2,4-5,12,17-19H,3,6-11,13-14H2,1H3,(H2,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438854 (4-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3....) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccnc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C21H27F2N3O2/c1-28-20(12-5-6-25-18(7-12)19(24)27)13-3-2-4-14(20)11-26(10-13)15-8-16-17(9-15)21(16,22)23/h5-7,13-17H,2-4,8-11H2,1H3,(H2,24,27)/t13?,14?,15-,16+,17-,20?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438846 (3-((1R,5S,9r)-3-(bicyclo[3.1.0]hexan-3-yl)-9-metho...) Show SMILES COC1(C2CCCC1CN(C2)C1C[C@@H]2C[C@@H]2C1)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,17:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C22H30N2O2/c1-26-22(17-5-2-4-14(9-17)21(23)25)18-6-3-7-19(22)13-24(12-18)20-10-15-8-16(15)11-20/h2,4-5,9,15-16,18-20H,3,6-8,10-13H2,1H3,(H2,23,25)/t15-,16+,18?,19?,20?,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438853 (3-((1R,5S,9R)-3-((1R,3r,5S)-6,6-difluorobicyclo[3....) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,19:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C22H28F2N2O2/c1-28-21(14-5-2-4-13(8-14)20(25)27)15-6-3-7-16(21)12-26(11-15)17-9-18-19(10-17)22(18,23)24/h2,4-5,8,15-19H,3,6-7,9-12H2,1H3,(H2,25,27)/t15?,16?,17-,18+,19-,21?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The Ki (binding affinity) for μ-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et a...				Citation and Details BindingDB Entry DOI: 10.7270/Q24J0J91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438969 (US10604489, Compound 130 | US11180455, Compound 13...) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1C[C@H](C)C1)c1ccnc(c1)C(N)=O |r,wU:11.12,13.15,TLB:11:9:2:5.4.6,16:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9,(2.15,-2.77,;.81,-2,;.81,-.46,;.02,.85,;.01,2.38,;-1.47,2.77,;-.67,1.46,;-.67,-.07,;-2.16,-.46,;-2.93,.87,;-1.45,.48,;-4.26,.1,;-5.75,.5,;-6.15,-.99,;-7.48,-1.76,;-4.66,-1.38,;2.15,.31,;2.15,1.85,;3.48,2.62,;4.81,1.85,;4.81,.31,;3.48,-.46,;6.15,-.46,;7.48,.31,;6.15,-2,)| Show InChI InChI=1S/C20H29N3O2/c1-13-8-17(9-13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-6-7-22-18(10-14)19(21)24/h6-7,10,13,15-17H,3-5,8-9,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,17+,20?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438972 (3-((1R,5S,9r)-9-methoxy-3-(2-oxaspiro[3.3]heptan-6...) Show SMILES COC1(C2CCCC1CN(C2)C1CC2(COC2)C1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C22H30N2O3/c1-26-22(16-5-2-4-15(8-16)20(23)25)17-6-3-7-18(22)12-24(11-17)19-9-21(10-19)13-27-14-21/h2,4-5,8,17-19H,3,6-7,9-14H2,1H3,(H2,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438973 (4-((1R,5S,9S)-9-methoxy-3-((S)-pentan-2-yl)-3-azab...) Show SMILES CCC[C@H](C)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O |r,TLB:16:13:9.8.10:12.6.5,THB:3:5:13:9.8.10,14:13:9.8.10:12.6.5| Show InChI InChI=1S/C20H31N3O2/c1-4-6-14(2)23-12-16-7-5-8-17(13-23)20(16,25-3)15-9-10-22-18(11-15)19(21)24/h9-11,14,16-17H,4-8,12-13H2,1-3H3,(H2,21,24)/t14-,16?,17?,20?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438977 (3-((1R,5S,9r)-3-(2-cyclopropylethyl)-9-methoxy-3-a...) Show SMILES COC1(C2CCCC1CN(CCC1CC1)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,16:2:5.4.6:8.15.9,THB:1:2:5.4.6:8.15.9| Show InChI InChI=1S/C21H30N2O2/c1-25-21(17-5-2-4-16(12-17)20(22)24)18-6-3-7-19(21)14-23(13-18)11-10-15-8-9-15/h2,4-5,12,15,18-19H,3,6-11,13-14H2,1H3,(H2,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438978 (US10604489, Compound 139 | US11180455, Compound 13...) Show SMILES CO[C@H]1C[C@H](C1)N1CC2CCCC(C1)C2(OC)c1ccnc(c1)C(N)=O |r,wU:4.6,2.1,TLB:17:14:10.9.11:13.7.6,THB:4:6:14:10.9.11,15:14:10.9.11:13.7.6,(-8.15,-.9,;-6.81,-1.67,;-5.48,-.9,;-5.08,.59,;-3.59,.19,;-3.99,-1.29,;-2.26,.96,;-.78,.57,;.69,.94,;.68,2.47,;-.8,2.86,;-.01,1.55,;-0,.02,;-1.49,-.37,;1.48,-.37,;1.48,-1.91,;2.81,-2.68,;2.81,.4,;2.81,1.94,;4.15,2.71,;5.48,1.94,;5.48,.4,;4.15,-.37,;6.81,-.37,;8.15,.4,;6.81,-1.91,)| Show InChI InChI=1S/C20H29N3O3/c1-25-17-9-16(10-17)23-11-14-4-3-5-15(12-23)20(14,26-2)13-6-7-22-18(8-13)19(21)24/h6-8,14-17H,3-5,9-12H2,1-2H3,(H2,21,24)/t14?,15?,16-,17+,20?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438979 (US10604489, Compound 140 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C2)[C@H]1CCCOC1)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,17:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-6-2-5-15(11-16)20(22)24)17-7-3-8-18(21)13-23(12-17)19-9-4-10-26-14-19/h2,5-6,11,17-19H,3-4,7-10,12-14H2,1H3,(H2,22,24)/t17?,18?,19-,21?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438980 (US10604489, Compound 141 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C2)[C@@H]1CCCOC1)c1cccc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,17:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(16-6-2-5-15(11-16)20(22)24)17-7-3-8-18(21)13-23(12-17)19-9-4-10-26-14-19/h2,5-6,11,17-19H,3-4,7-10,12-14H2,1H3,(H2,22,24)/t17?,18?,19-,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438981 (4-((1R,5S,9r)-3-((1H-indazol-3-yl)methyl)-9-methox...) Show SMILES COC1(C2CCCC1CN(Cc1n[nH]c3ccccc13)C2)c1ccnc(c1)C(N)=O |TLB:10:9:2:5.4.6,21:2:5.4.6:8.20.9,THB:1:2:5.4.6:8.20.9| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438982 (US10604489, Compound 143 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C[C@@H]1CCOC1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,17:2:5.4.6:8.16.9,THB:1:2:5.4.6:8.16.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(17-5-2-4-16(10-17)20(22)24)18-6-3-7-19(21)13-23(12-18)11-15-8-9-26-14-15/h2,4-5,10,15,18-19H,3,6-9,11-14H2,1H3,(H2,22,24)/t15-,18?,19?,21?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438983 (4-((1R,5S,9s)-9-methoxy-3-((1S,2S)-2-methylcyclobu...) Show SMILES COC1(C2CCCC1CN(C2)C1CC[C@H]1C)c1ccnc(c1)C(N)=O |r,TLB:11:9:2:5.4.6,16:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C20H29N3O2/c1-13-6-7-18(13)23-11-15-4-3-5-16(12-23)20(15,25-2)14-8-9-22-17(10-14)19(21)24/h8-10,13,15-16,18H,3-7,11-12H2,1-2H3,(H2,21,24)/t13-,15?,16?,18?,20?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438985 (US10604489, Compound 148 | US11180455, Compound 14...) Show SMILES COC1(C2CCCC1CN(C[C@H]1CCOC1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,17:2:5.4.6:8.16.9,THB:1:2:5.4.6:8.16.9| Show InChI InChI=1S/C21H30N2O3/c1-25-21(17-5-2-4-16(10-17)20(22)24)18-6-3-7-19(21)13-23(12-18)11-15-8-9-26-14-15/h2,4-5,10,15,18-19H,3,6-9,11-14H2,1H3,(H2,22,24)/t15-,18?,19?,21?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438986 (3-((1R,5S,9r)-9-methoxy-34(2-methyl-1H-imidazol-4-...) Show SMILES COC1(C2CCCC1CN(Cc1cnc(C)[nH]1)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438988 (3-((1R,5S,9r)-9-methoxy-3-(1-phenylazetidin-3-yl)-...) Show SMILES COC1(C2CCCC1CN(C2)C1CN(C1)c1ccccc1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,21:2:9.8.10:5.4.6,THB:1:2:9.8.10:5.4.6| Show InChI InChI=1S/C25H31N3O2/c1-30-25(19-8-5-7-18(13-19)24(26)29)20-9-6-10-21(25)15-27(14-20)23-16-28(17-23)22-11-3-2-4-12-22/h2-5,7-8,11-13,20-21,23H,6,9-10,14-17H2,1H3,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438989 (US10604489, Compound 152 | US11180455, Compound 15...) Show SMILES COC1(C2CCCC1CN(C[C@H]1C[C@@H]3C[C@@H]3C1)C2)c1cccc(c1)C(N)=O |r,TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI InChI=1S/C23H32N2O2/c1-27-23(19-5-2-4-16(11-19)22(24)26)20-6-3-7-21(23)14-25(13-20)12-15-8-17-10-18(17)9-15/h2,4-5,11,15,17-18,20-21H,3,6-10,12-14H2,1H3,(H2,24,26)/t15-,17+,18-,20?,21?,23?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438990 (4-((1R,5S,9r)-9-methoxy-3-((5-methyl-1H-imidazol-2...) Show SMILES COC1(C2CCCC1CN(Cc1cnc(C)[nH]1)C2)c1ccnc(c1)C(N)=O |TLB:10:9:2:5.4.6,18:2:9.8.17:5.4.6,THB:1:2:9.8.17:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438991 (3-((1R,5S,9r)-3-((1H-indazol-3-yl)methyl)-9-methox...) Show SMILES COC1(C2CCCC1CN(Cc1n[nH]c3ccccc13)C2)c1cccc(c1)C(N)=O |TLB:10:9:2:5.4.6,21:2:9.8.20:5.4.6,THB:1:2:9.8.20:5.4.6| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BWX
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 393 total )  |  Next  |  Last  >>

Jump to: