Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 2472   

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
Substance-P receptor (Rattus norvegicus (rat))	BDBM21022 (Bifunctional Peptide Ligand, 6 (TY023) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C59H69F6N9O11S/c1-33(2)23-46(53(79)73-48(28-38-30-67-44-14-9-8-13-42(38)44)57(83)85-32-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)72-55(81)49-15-10-21-74(49)56(82)45(20-22-86(4)84)71-54(80)47(27-35-11-6-5-7-12-35)70-50(76)31-68-51(77)34(3)69-52(78)43(66)26-36-16-18-41(75)19-17-36/h5-9,11-14,16-19,24-25,29-30,33-34,43,45-49,67,75H,10,15,20-23,26-28,31-32,66H2,1-4H3,(H,68,77)(H,69,78)(H,70,76)(H,71,80)(H,72,81)(H,73,79)/t34-,43+,45+,46+,47+,48+,49+,86?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21021 (Bifunctional Peptide Ligand, 5 (TY005) | CHEMBL389...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C59H69F6N9O10S/c1-33(2)23-46(53(79)73-48(28-38-30-67-44-14-9-8-13-42(38)44)57(83)84-32-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)72-55(81)49-15-10-21-74(49)56(82)45(20-22-85-4)71-54(80)47(27-35-11-6-5-7-12-35)70-50(76)31-68-51(77)34(3)69-52(78)43(66)26-36-16-18-41(75)19-17-36/h5-9,11-14,16-19,24-25,29-30,33-34,43,45-49,67,75H,10,15,20-23,26-28,31-32,66H2,1-4H3,(H,68,77)(H,69,78)(H,70,76)(H,71,80)(H,72,81)(H,73,79)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21023 (Bifunctional Peptide Ligand, 7 (TY018) | H-Tyr-D-A...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C60H71F6N9O10/c1-5-6-16-46(72-55(81)48(28-36-13-8-7-9-14-36)71-51(77)32-69-52(78)35(4)70-53(79)44(67)27-37-19-21-42(76)22-20-37)57(83)75-23-12-18-50(75)56(82)73-47(24-34(2)3)54(80)74-49(29-39-31-68-45-17-11-10-15-43(39)45)58(84)85-33-38-25-40(59(61,62)63)30-41(26-38)60(64,65)66/h7-11,13-15,17,19-22,25-26,30-31,34-35,44,46-50,68,76H,5-6,12,16,18,23-24,27-29,32-33,67H2,1-4H3,(H,69,78)(H,70,79)(H,71,77)(H,72,81)(H,73,82)(H,74,80)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21024 (Bifunctional Peptide Ligand, 8 (TY019) | H-Tyr-D-A...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C61H73F6N9O10/c1-6-7-18-51(75(5)57(83)48(29-37-14-9-8-10-15-37)72-52(78)33-70-53(79)36(4)71-54(80)45(68)28-38-20-22-43(77)23-21-38)58(84)76-24-13-19-50(76)56(82)73-47(25-35(2)3)55(81)74-49(30-40-32-69-46-17-12-11-16-44(40)46)59(85)86-34-39-26-41(60(62,63)64)31-42(27-39)61(65,66)67/h8-12,14-17,20-23,26-27,31-32,35-36,45,47-51,69,77H,6-7,13,18-19,24-25,28-30,33-34,68H2,1-5H3,(H,70,79)(H,71,80)(H,72,78)(H,73,82)(H,74,81)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.710	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21020 (Bifunctional Peptide Ligand, 4 (TY004) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C60H71F6N9O10/c1-33(2)22-46(54(80)74-49(28-39-30-68-45-15-10-9-14-43(39)45)58(84)85-32-38-24-40(59(61,62)63)29-41(25-38)60(64,65)66)72-56(82)50-16-11-21-75(50)57(83)48(23-34(3)4)73-55(81)47(27-36-12-7-6-8-13-36)71-51(77)31-69-52(78)35(5)70-53(79)44(67)26-37-17-19-42(76)20-18-37/h6-10,12-15,17-20,24-25,29-30,33-35,44,46-50,68,76H,11,16,21-23,26-28,31-32,67H2,1-5H3,(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,80)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21017 (Bifunctional Peptide Ligand, 1 (TY003) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51+,52+,53+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.880	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21019 (Bifunctional Peptide Ligand, 3 (TY006) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C56H63F6N9O10/c1-31(2)20-43(52(78)70-45(25-36-27-64-42-13-8-7-12-40(36)42)54(80)81-30-35-21-37(55(57,58)59)26-38(22-35)56(60,61)62)69-53(79)46-14-9-19-71(46)48(74)29-66-51(77)44(24-33-10-5-4-6-11-33)68-47(73)28-65-49(75)32(3)67-50(76)41(63)23-34-15-17-39(72)18-16-34/h4-8,10-13,15-18,21-22,26-27,31-32,41,43-46,64,72H,9,14,19-20,23-25,28-30,63H2,1-3H3,(H,65,75)(H,66,77)(H,67,76)(H,68,73)(H,69,79)(H,70,78)/t32-,41+,43+,44+,45+,46+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21014 ((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21023 (Bifunctional Peptide Ligand, 7 (TY018) | H-Tyr-D-A...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C60H71F6N9O10/c1-5-6-16-46(72-55(81)48(28-36-13-8-7-9-14-36)71-51(77)32-69-52(78)35(4)70-53(79)44(67)27-37-19-21-42(76)22-20-37)57(83)75-23-12-18-50(75)56(82)73-47(24-34(2)3)54(80)74-49(29-39-31-68-45-17-11-10-15-43(39)45)58(84)85-33-38-25-40(59(61,62)63)30-41(26-38)60(64,65)66/h7-11,13-15,17,19-22,25-26,30-31,34-35,44,46-50,68,76H,5-6,12,16,18,23-24,27-29,32-33,67H2,1-4H3,(H,69,78)(H,70,79)(H,71,77)(H,72,81)(H,73,82)(H,74,80)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.9	n/a	n/a	4	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21014 ((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.60	-49.0	n/a	n/a	1.10	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21021 (Bifunctional Peptide Ligand, 5 (TY005) | CHEMBL389...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C59H69F6N9O10S/c1-33(2)23-46(53(79)73-48(28-38-30-67-44-14-9-8-13-42(38)44)57(83)84-32-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)72-55(81)49-15-10-21-74(49)56(82)45(20-22-85-4)71-54(80)47(27-35-11-6-5-7-12-35)70-50(76)31-68-51(77)34(3)69-52(78)43(66)26-36-16-18-41(75)19-17-36/h5-9,11-14,16-19,24-25,29-30,33-34,43,45-49,67,75H,10,15,20-23,26-28,31-32,66H2,1-4H3,(H,68,77)(H,69,78)(H,70,76)(H,71,80)(H,72,81)(H,73,79)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	-48.8	n/a	n/a	2.90	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21018 (Bifunctional Peptide Ligand, 2 (TY007) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51-,52+,53+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21022 (Bifunctional Peptide Ligand, 6 (TY023) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C59H69F6N9O11S/c1-33(2)23-46(53(79)73-48(28-38-30-67-44-14-9-8-13-42(38)44)57(83)85-32-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)72-55(81)49-15-10-21-74(49)56(82)45(20-22-86(4)84)71-54(80)47(27-35-11-6-5-7-12-35)70-50(76)31-68-51(77)34(3)69-52(78)43(66)26-36-16-18-41(75)19-17-36/h5-9,11-14,16-19,24-25,29-30,33-34,43,45-49,67,75H,10,15,20-23,26-28,31-32,66H2,1-4H3,(H,68,77)(H,69,78)(H,70,76)(H,71,80)(H,72,81)(H,73,79)/t34-,43+,45+,46+,47+,48+,49+,86?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.5	n/a	n/a	1.80	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21020 (Bifunctional Peptide Ligand, 4 (TY004) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C60H71F6N9O10/c1-33(2)22-46(54(80)74-49(28-39-30-68-45-15-10-9-14-43(39)45)58(84)85-32-38-24-40(59(61,62)63)29-41(25-38)60(64,65)66)72-56(82)50-16-11-21-75(50)57(83)48(23-34(3)4)73-55(81)47(27-36-12-7-6-8-13-36)71-51(77)31-69-52(78)35(5)70-53(79)44(67)26-37-17-19-42(76)20-18-37/h6-10,12-15,17-20,24-25,29-30,33-35,44,46-50,68,76H,11,16,21-23,26-28,31-32,67H2,1-5H3,(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,80)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-47.4	n/a	n/a	9.60	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21022 (Bifunctional Peptide Ligand, 6 (TY023) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C59H69F6N9O11S/c1-33(2)23-46(53(79)73-48(28-38-30-67-44-14-9-8-13-42(38)44)57(83)85-32-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)72-55(81)49-15-10-21-74(49)56(82)45(20-22-86(4)84)71-54(80)47(27-35-11-6-5-7-12-35)70-50(76)31-68-51(77)34(3)69-52(78)43(66)26-36-16-18-41(75)19-17-36/h5-9,11-14,16-19,24-25,29-30,33-34,43,45-49,67,75H,10,15,20-23,26-28,31-32,66H2,1-4H3,(H,68,77)(H,69,78)(H,70,76)(H,71,80)(H,72,81)(H,73,79)/t34-,43+,45+,46+,47+,48+,49+,86?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	-47.1	n/a	n/a	34	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21023 (Bifunctional Peptide Ligand, 7 (TY018) | H-Tyr-D-A...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C60H71F6N9O10/c1-5-6-16-46(72-55(81)48(28-36-13-8-7-9-14-36)71-51(77)32-69-52(78)35(4)70-53(79)44(67)27-37-19-21-42(76)22-20-37)57(83)75-23-12-18-50(75)56(82)73-47(24-34(2)3)54(80)74-49(29-39-31-68-45-17-11-10-15-43(39)45)58(84)85-33-38-25-40(59(61,62)63)30-41(26-38)60(64,65)66/h7-11,13-15,17,19-22,25-26,30-31,34-35,44,46-50,68,76H,5-6,12,16,18,23-24,27-29,32-33,67H2,1-4H3,(H,69,78)(H,70,79)(H,71,77)(H,72,81)(H,73,82)(H,74,80)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.70	-45.7	n/a	n/a	28	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21017 (Bifunctional Peptide Ligand, 1 (TY003) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51+,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-44.7	n/a	n/a	21	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21020 (Bifunctional Peptide Ligand, 4 (TY004) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C60H71F6N9O10/c1-33(2)22-46(54(80)74-49(28-39-30-68-45-15-10-9-14-43(39)45)58(84)85-32-38-24-40(59(61,62)63)29-41(25-38)60(64,65)66)72-56(82)50-16-11-21-75(50)57(83)48(23-34(3)4)73-55(81)47(27-36-12-7-6-8-13-36)71-51(77)31-69-52(78)35(5)70-53(79)44(67)26-37-17-19-42(76)20-18-37/h6-10,12-15,17-20,24-25,29-30,33-35,44,46-50,68,76H,11,16,21-23,26-28,31-32,67H2,1-5H3,(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,80)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-43.6	n/a	n/a	33	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21019 (Bifunctional Peptide Ligand, 3 (TY006) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C56H63F6N9O10/c1-31(2)20-43(52(78)70-45(25-36-27-64-42-13-8-7-12-40(36)42)54(80)81-30-35-21-37(55(57,58)59)26-38(22-35)56(60,61)62)69-53(79)46-14-9-19-71(46)48(74)29-66-51(77)44(24-33-10-5-4-6-11-33)68-47(73)28-65-49(75)32(3)67-50(76)41(63)23-34-15-17-39(72)18-16-34/h4-8,10-13,15-18,21-22,26-27,31-32,41,43-46,64,72H,9,14,19-20,23-25,28-30,63H2,1-3H3,(H,65,75)(H,66,77)(H,67,76)(H,68,73)(H,69,79)(H,70,78)/t32-,41+,43+,44+,45+,46+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	-43.2	n/a	n/a	42	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21017 (Bifunctional Peptide Ligand, 1 (TY003) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51+,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-43.1	n/a	n/a	59	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21019 (Bifunctional Peptide Ligand, 3 (TY006) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C56H63F6N9O10/c1-31(2)20-43(52(78)70-45(25-36-27-64-42-13-8-7-12-40(36)42)54(80)81-30-35-21-37(55(57,58)59)26-38(22-35)56(60,61)62)69-53(79)46-14-9-19-71(46)48(74)29-66-51(77)44(24-33-10-5-4-6-11-33)68-47(73)28-65-49(75)32(3)67-50(76)41(63)23-34-15-17-39(72)18-16-34/h4-8,10-13,15-18,21-22,26-27,31-32,41,43-46,64,72H,9,14,19-20,23-25,28-30,63H2,1-3H3,(H,65,75)(H,66,77)(H,67,76)(H,68,73)(H,69,79)(H,70,78)/t32-,41+,43+,44+,45+,46+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	-42.5	n/a	n/a	50	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21021 (Bifunctional Peptide Ligand, 5 (TY005) | CHEMBL389...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C59H69F6N9O10S/c1-33(2)23-46(53(79)73-48(28-38-30-67-44-14-9-8-13-42(38)44)57(83)84-32-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)72-55(81)49-15-10-21-74(49)56(82)45(20-22-85-4)71-54(80)47(27-35-11-6-5-7-12-35)70-50(76)31-68-51(77)34(3)69-52(78)43(66)26-36-16-18-41(75)19-17-36/h5-9,11-14,16-19,24-25,29-30,33-34,43,45-49,67,75H,10,15,20-23,26-28,31-32,66H2,1-4H3,(H,68,77)(H,69,78)(H,70,76)(H,71,80)(H,72,81)(H,73,79)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	-42.5	n/a	n/a	32	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21024 (Bifunctional Peptide Ligand, 8 (TY019) | H-Tyr-D-A...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C61H73F6N9O10/c1-6-7-18-51(75(5)57(83)48(29-37-14-9-8-10-15-37)72-52(78)33-70-53(79)36(4)71-54(80)45(68)28-38-20-22-43(77)23-21-38)58(84)76-24-13-19-50(76)56(82)73-47(25-35(2)3)55(81)74-49(30-40-32-69-46-17-12-11-16-44(40)46)59(85)86-34-39-26-41(60(62,63)64)31-42(27-39)61(65,66)67/h8-12,14-17,20-23,26-27,31-32,35-36,45,47-51,69,77H,6-7,13,18-19,24-25,28-30,33-34,68H2,1-5H3,(H,70,79)(H,71,80)(H,72,78)(H,73,82)(H,74,81)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	77	-40.6	n/a	n/a	360	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21018 (Bifunctional Peptide Ligand, 2 (TY007) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51-,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	93	-40.1	n/a	n/a	17	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21016 (CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	134	-39.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21024 (Bifunctional Peptide Ligand, 8 (TY019) | H-Tyr-D-A...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C61H73F6N9O10/c1-6-7-18-51(75(5)57(83)48(29-37-14-9-8-10-15-37)72-52(78)33-70-53(79)36(4)71-54(80)45(68)28-38-20-22-43(77)23-21-38)58(84)76-24-13-19-50(76)56(82)73-47(25-35(2)3)55(81)74-49(30-40-32-69-46-17-12-11-16-44(40)46)59(85)86-34-39-26-41(60(62,63)64)31-42(27-39)61(65,66)67/h8-12,14-17,20-23,26-27,31-32,35-36,45,47-51,69,77H,6-7,13,18-19,24-25,28-30,33-34,68H2,1-5H3,(H,70,79)(H,71,80)(H,72,78)(H,73,82)(H,74,81)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	-39.1	n/a	n/a	150	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21018 (Bifunctional Peptide Ligand, 2 (TY007) | H-Tyr-D-A...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C63H69F6N9O10/c1-36(2)25-49(57(83)77-52(31-42-33-71-48-18-11-10-17-46(42)48)61(87)88-35-41-26-43(62(64,65)66)32-44(27-41)63(67,68)69)75-59(85)53-19-12-24-78(53)60(86)51(30-39-15-8-5-9-16-39)76-58(84)50(29-38-13-6-4-7-14-38)74-54(80)34-72-55(81)37(3)73-56(82)47(70)28-40-20-22-45(79)23-21-40/h4-11,13-18,20-23,26-27,32-33,36-37,47,49-53,71,79H,12,19,24-25,28-31,34-35,70H2,1-3H3,(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,83)/t37-,47+,49+,50+,51-,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	380	-36.6	n/a	n/a	350	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 2779-86 (2007) Article DOI: 10.1021/jm061369n BindingDB Entry DOI: 10.7270/Q2SF2TG6
					More data for this Ligand-Target Pair