Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 7143   

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))	BDBM177911 (US9120797, 10 | US9120797, 9) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.360	-53.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177935 (US9120797, 33) Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177955 (US9120797, 53) Show SMILES CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 |(3.6,-.91,;2.11,-.51,;1.71,.98,;1.02,-1.6,;1.79,-2.93,;3.33,-2.93,;4.1,-4.26,;5.64,-4.26,;6.41,-2.93,;5.64,-1.6,;4.1,-1.6,;.25,-2.93,;-1.29,-2.93,;-2.06,-1.6,;-1.29,-.26,;.25,-.26,;-2.83,-2.93,;-4.37,-2.93,;-5.14,-1.6,;-4.37,-.26,;-2.83,-.26,;-2.35,1.2,;-3.6,2.11,;-3.76,3.64,;-5.17,4.26,;-6.41,3.36,;-6.25,1.83,;-4.84,1.2,)| Show InChI InChI=1S/C25H31N3/c1-28(2)24(18-19-8-4-3-5-9-19)13-15-25(16-14-24)23-21(12-17-26-25)20-10-6-7-11-22(20)27-23/h3-11,26-27H,12-18H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177936 (US9120797, 34) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-19(10-15-26-23)20-16-18(25)8-9-21(20)27-22/h3-9,16,26-27H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177947 (US9120797, 45) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H28N2O2/c1-26(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(27)8-9-21(20)25-22/h3-9,16,25,27H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177930 (US9120797, 28) Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C23H26N2O/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21/h2-10,24-25H,11-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177926 (US9120797, 24 | US9120797, 25) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177934 (US9120797, 32) Show SMILES CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2cc(F)ccc12)C(C)=O)c1ccccc1 |(4.75,-.98,;3.27,-.59,;2.87,.9,;2.18,-1.67,;1.41,-3.01,;-.13,-3.01,;-.9,-1.67,;-.13,-.34,;1.41,-.34,;-1.67,-3.01,;-3.21,-3.01,;-3.98,-1.67,;-3.21,-.34,;-1.67,-.34,;-1.2,1.12,;-2.44,2.03,;-2.6,3.56,;-4.01,4.19,;-4.41,5.68,;-5.26,3.28,;-5.1,1.75,;-3.69,1.12,;-.9,-4.34,;-1.67,-5.68,;.64,-4.34,;2.95,-3.01,;2.18,-4.34,;2.95,-5.68,;4.49,-5.68,;5.26,-4.34,;4.49,-3.01,)| Show InChI InChI=1S/C26H30FN3O/c1-18(31)30-16-11-22-21-10-9-20(27)17-23(21)28-24(22)26(30)14-12-25(13-15-26,29(2)3)19-7-5-4-6-8-19/h4-10,17,28H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177915 (US9120797, 13) Show SMILES COc1ccc2[nH]c3c(CCOC33CCC(CC3)(N(C)C)c3ccccc3)c2c1 |(-6.55,3.34,;-5.46,4.42,;-3.97,4.03,;-2.72,4.93,;-1.32,4.3,;-1.15,2.77,;.09,1.87,;-.38,.4,;-1.92,.4,;-2.69,-.93,;-1.92,-2.26,;-.38,-2.26,;.39,-.93,;1.16,-2.26,;2.7,-2.26,;3.47,-.93,;2.7,.4,;1.16,.4,;4.55,.16,;6.04,-.24,;4.16,1.65,;4.24,-2.26,;3.47,-3.6,;4.24,-4.93,;5.78,-4.93,;6.55,-3.6,;5.78,-2.26,;-2.4,1.87,;-3.81,2.49,)| Show InChI InChI=1S/C25H30N2O2/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23/h4-10,17,26H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177925 (US9120797, 23) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1cccc(F)c1 |(3.98,-.24,;2.5,.16,;2.1,1.65,;1.41,-.93,;.64,-2.26,;-.9,-2.26,;-1.67,-.93,;-.9,.4,;.64,.4,;-2.44,-2.26,;-3.98,-2.26,;-4.75,-.93,;-3.98,.4,;-2.44,.4,;-1.97,1.87,;-3.21,2.77,;-3.37,4.3,;-4.78,4.93,;-6.03,4.03,;-5.87,2.49,;-4.46,1.87,;2.18,-2.26,;1.41,-3.6,;2.18,-4.93,;3.72,-4.93,;4.49,-3.6,;6.03,-3.6,;3.72,-2.26,)| Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-5-7-18(25)16-17)11-13-24(14-12-23)22-20(10-15-28-24)19-8-3-4-9-21(19)26-22/h3-9,16,26H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-49.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177913 (US9120797, 11 | US9120797, 12) Show SMILES CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2ccccc12)C(C)=O)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-3.6,;-1.67,-4.93,;.64,-3.6,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C26H31N3O/c1-19(30)29-18-13-22-21-11-7-8-12-23(21)27-24(22)26(29)16-14-25(15-17-26,28(2)3)20-9-5-4-6-10-20/h4-12,27H,13-18H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177948 (US9120797, 46) Show SMILES COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 |(-5.78,-4.93,;-5,-3.6,;-3.47,-3.6,;-2.69,-4.93,;-2.69,-2.26,;-3.47,-.93,;-2.69,.4,;-1.15,.4,;-.68,1.87,;-1.93,2.77,;-2.09,4.3,;-3.49,4.93,;-4.74,4.03,;-4.58,2.49,;-3.17,1.87,;-.38,-.93,;.38,-2.26,;1.93,-2.26,;2.69,-.93,;1.93,.4,;.38,.4,;3.78,.16,;5.27,-.24,;3.39,1.65,;3.47,-2.26,;2.69,-3.6,;3.47,-4.93,;5,-4.93,;5.78,-3.6,;5,-2.26,;-1.15,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	-49.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177949 (US9120797, 47) Show SMILES CN(C)C1(CCC2(CC1)NC(CO)Cc1c2[nH]c2ccccc12)c1ccccc1 |(4.89,-.24,;3.4,.16,;3,1.65,;2.31,-.93,;1.54,-2.26,;,-2.26,;-.77,-.93,;,.4,;1.54,.4,;-1.54,-2.26,;-3.08,-2.26,;-3.85,-3.6,;-5.39,-3.6,;-3.85,-.93,;-3.08,.4,;-1.54,.4,;-1.06,1.87,;-2.31,2.77,;-2.47,4.3,;-3.88,4.93,;-5.12,4.03,;-4.96,2.49,;-3.56,1.87,;3.08,-2.26,;2.31,-3.6,;3.08,-4.93,;4.62,-4.93,;5.39,-3.6,;4.62,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177928 (US9120797, 26) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C25H30N2O/c1-18-9-10-22-21(17-18)20-11-16-28-25(23(20)26-22)14-12-24(13-15-25,27(2)3)19-7-5-4-6-8-19/h4-10,17,26H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177906 (US9120797, 4) Show SMILES CN(C)C1(CCC2(CC1)SCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2S/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177913 (US9120797, 11 | US9120797, 12) Show SMILES CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2ccccc12)C(C)=O)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-3.6,;-1.67,-4.93,;.64,-3.6,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C26H31N3O/c1-19(30)29-18-13-22-21-11-7-8-12-23(21)27-24(22)26(29)16-14-25(15-17-26,28(2)3)20-9-5-4-6-10-20/h4-12,27H,13-18H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177911 (US9120797, 10 | US9120797, 9) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H29N3/c1-27(2)24(18-8-4-3-5-9-18)15-13-23(14-16-24)22-20(12-17-25-23)19-10-6-7-11-21(19)26-22/h3-11,25-26H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.5	-47.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177919 (US9120797, 17 | US9120797, 18) Show SMILES CC1Cc2c([nH]c3ccc(cc23)[N+]([O-])=O)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-2.69,-4.09,;-1.92,-2.75,;-2.69,-1.42,;-1.92,-.09,;-.38,-.09,;.09,1.38,;-1.15,2.28,;-1.32,3.81,;-2.72,4.44,;-3.97,3.54,;-3.81,2,;-2.4,1.38,;-5.38,4.16,;-5.54,5.69,;-6.62,3.26,;.39,-1.42,;1.16,-2.75,;2.7,-2.75,;3.47,-1.42,;2.7,-.09,;1.16,-.09,;4.55,-.33,;6.04,-.73,;4.16,1.16,;4.24,-2.75,;3.47,-4.09,;4.24,-5.42,;5.78,-5.42,;6.55,-4.09,;5.78,-2.75,;-.38,-2.75,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.60	-46.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177951 (US9120797, 49) Show SMILES CNC1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C23H25FN2O/c1-25-22(16-5-3-2-4-6-16)10-12-23(13-11-22)21-18(9-14-27-23)19-15-17(24)7-8-20(19)26-21/h2-8,15,25-26H,9-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177924 (US9120797, 22) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccc(F)cc1 |(4.75,.43,;3.27,.83,;2.87,2.31,;2.18,-.26,;1.41,-1.6,;-.13,-1.6,;-.9,-.26,;-.13,1.07,;1.41,1.07,;-1.67,-1.6,;-3.21,-1.6,;-3.98,-.26,;-3.21,1.07,;-1.67,1.07,;-1.2,2.53,;-2.44,3.44,;-2.6,4.97,;-4.01,5.6,;-5.26,4.69,;-5.1,3.16,;-3.69,2.53,;2.95,-1.6,;2.18,-2.93,;2.95,-4.26,;4.49,-4.26,;5.26,-5.6,;5.26,-2.93,;4.49,-1.6,)| Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-7-9-18(25)10-8-17)12-14-24(15-13-23)22-20(11-16-28-24)19-5-3-4-6-21(19)26-22/h3-10,26H,11-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177916 (US9120797, 14 | US9120797, 15) Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177926 (US9120797, 24 | US9120797, 25) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	12	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177938 (US9120797, 36) Show SMILES CC1Cc2c([nH]c3ccc(C)cc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.24,-3.6,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;-.16,-.93,;.61,-2.26,;2.15,-2.26,;2.92,-.93,;2.15,.4,;.61,.4,;4.01,.16,;5.5,-.24,;3.61,1.65,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,;-.93,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177918 (US9120797, 16) Show SMILES CC1Cc2c([nH]c3ccc(Br)cc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.24,-3.6,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;-.16,-.93,;.61,-2.26,;2.15,-2.26,;2.92,-.93,;2.15,.4,;.61,.4,;4.01,.16,;5.5,-.24,;3.61,1.65,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,;-.93,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177931 (US9120797, 29) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C25H31N3/c1-18-9-10-22-21(17-18)20-11-16-26-24(23(20)27-22)12-14-25(15-13-24,28(2)3)19-7-5-4-6-8-19/h4-10,17,26-27H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	-44.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177933 (US9120797, 31) Show SMILES CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2cc(F)ccc12)c1ccccc1 |(4.75,-.98,;3.27,-.59,;2.87,.9,;2.18,-1.67,;1.41,-3.01,;-.13,-3.01,;-.9,-1.67,;-.13,-.34,;1.41,-.34,;-1.67,-3.01,;-3.21,-3.01,;-3.98,-1.67,;-3.21,-.34,;-1.67,-.34,;-1.2,1.12,;-2.44,2.03,;-2.6,3.56,;-4.01,4.19,;-4.41,5.68,;-5.26,3.28,;-5.1,1.75,;-3.69,1.12,;2.95,-3.01,;2.18,-4.34,;2.95,-5.68,;4.49,-5.68,;5.26,-4.34,;4.49,-3.01,)| Show InChI InChI=1S/C24H28FN3/c1-28(2)24(17-6-4-3-5-7-17)13-11-23(12-14-24)22-20(10-15-26-23)19-9-8-18(25)16-21(19)27-22/h3-9,16,26-27H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17	-44.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177946 (US9120797, 44) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(Br)cc12)c1ccccc1 |(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)| Show InChI InChI=1S/C24H27BrN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19	-44.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177919 (US9120797, 17 | US9120797, 18) Show SMILES CC1Cc2c([nH]c3ccc(cc23)[N+]([O-])=O)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-2.69,-4.09,;-1.92,-2.75,;-2.69,-1.42,;-1.92,-.09,;-.38,-.09,;.09,1.38,;-1.15,2.28,;-1.32,3.81,;-2.72,4.44,;-3.97,3.54,;-3.81,2,;-2.4,1.38,;-5.38,4.16,;-5.54,5.69,;-6.62,3.26,;.39,-1.42,;1.16,-2.75,;2.7,-2.75,;3.47,-1.42,;2.7,-.09,;1.16,-.09,;4.55,-.33,;6.04,-.73,;4.16,1.16,;4.24,-2.75,;3.47,-4.09,;4.24,-5.42,;5.78,-5.42,;6.55,-4.09,;5.78,-2.75,;-.38,-2.75,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	-43.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177916 (US9120797, 14 | US9120797, 15) Show SMILES CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	58	-41.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177954 (US9120797, 52) Show SMILES CN(C)C1(CCC2(CC1)c1sc3ccccc3c1CCS2=O)c1ccc(F)cc1 |(4.75,.43,;3.27,.83,;2.87,2.31,;2.18,-.26,;1.41,-1.6,;-.13,-1.6,;-.9,-.26,;-.13,1.07,;1.41,1.07,;-1.67,1.07,;-1.2,2.53,;-2.44,3.44,;-2.6,4.97,;-4.01,5.6,;-5.26,4.69,;-5.1,3.16,;-3.69,2.53,;-3.21,1.07,;-3.98,-.26,;-3.21,-1.6,;-1.67,-1.6,;-.9,-2.93,;2.95,-1.6,;2.18,-2.93,;2.95,-4.26,;4.49,-4.26,;5.26,-5.6,;5.26,-2.93,;4.49,-1.6,)| Show InChI InChI=1S/C24H26FNOS2/c1-26(2)23(17-7-9-18(25)10-8-17)12-14-24(15-13-23)22-20(11-16-29(24)27)19-5-3-4-6-21(19)28-22/h3-10H,11-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	-41.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177937 (US9120797, 35) Show SMILES CC1Cc2c([nH]c3ccc(F)cc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 |(-3.24,-3.6,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;-.16,-.93,;.61,-2.26,;2.15,-2.26,;2.92,-.93,;2.15,.4,;.61,.4,;4.01,.16,;5.5,-.24,;3.61,1.65,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,;-.93,-2.26,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	61	-41.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM177903 (US9120797, 1 | US9120797, 2 | US9120797, 3) Show SMILES CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)| Show InChI InChI=1S/C24H28N2O/c1-26(2)23(18-8-4-3-5-9-18)13-15-24(16-14-23)22-20(12-17-27-24)19-10-6-7-11-21(19)25-22/h3-11,25H,12-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	310	-37.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Gruenenthal GmbH US Patent					Assay Description The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the p...				US Patent US9120797 (2015) BindingDB Entry DOI: 10.7270/Q2X065T3
					More data for this Ligand-Target Pair