Compile Data Set for Download or QSAR

Found 2354 hits with Last Name = 'nguyen' and Initial = 'm'   

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
Prothrombin (Homo sapiens (Human))	BDBM50126528 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:26.26,wD:29.30,c:20,(-5.83,6.53,;-5.06,5.2,;-3.52,5.2,;-2.75,6.53,;-2.75,3.87,;-3.52,2.54,;-5.06,2.54,;-5.83,1.21,;-5.06,-.12,;-5.83,-1.45,;-7.37,-1.45,;-8.14,-2.8,;-8.14,-.12,;-7.37,1.21,;-1.21,3.87,;-.3,5.11,;-.76,6.57,;1.17,4.64,;2.5,5.41,;3.85,4.64,;3.85,3.08,;2.5,2.31,;2.5,.77,;1.17,,;3.85,,;5.19,.77,;6.52,,;7.85,.77,;9.18,-.01,;9.18,-1.55,;10.51,-2.32,;7.84,-2.32,;6.52,-1.55,;1.17,3.08,;-.3,2.61,;-.77,1.14,)| Show InChI InChI=1S/C24H30BrN5O5S/c1-35-22(32)20(14-36-18-10-6-16(25)7-11-18)29-23(33)28-12-2-3-19(30(28)24(29)34)21(31)27-13-15-4-8-17(26)9-5-15/h2-3,6-7,10-11,15,17,19-20H,4-5,8-9,12-14,26H2,1H3,(H,27,31)/t15-,17-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50198754 (CHEMBL3924888) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C33H48N8O5/c1-20-16-23(42)17-21(2)24(20)19-28-32(46)39-26(13-7-9-15-37-33(35)36)29(43)40-27(18-22-10-4-3-5-11-22)31(45)38-25(30(44)41-28)12-6-8-14-34/h3-5,10-11,16-17,25-28,42H,6-9,12-15,18-19,34H2,1-2H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44)(H4,35,36,37)/t25-,26+,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071565 (2-(2,2-Diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-...) Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O |t:1| Show InChI InChI=1S/C38H43N7O6/c1-25-22-32(35(48)42-31(14-8-9-20-39)33(46)36(49)41-21-19-26-15-17-29(18-16-26)34(40)47)45-38(51)43(37(50)44(45)23-25)24-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,15-18,22,30-32H,8-9,14,19-21,23-24,39H2,1H3,(H2,40,47)(H,41,49)(H,42,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126525 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES Cc1nc(N)ccc1CNC(=O)C1C=CCn2n1c(=O)n(C(CSc1ccc(Cl)cc1)C(=O)OC1CCCCC1)c2=O |c:14| Show InChI InChI=1S/C29H33ClN6O5S/c1-18-19(9-14-25(31)33-18)16-32-26(37)23-8-5-15-34-28(39)35(29(40)36(23)34)24(17-42-22-12-10-20(30)11-13-22)27(38)41-21-6-3-2-4-7-21/h5,8-14,21,23-24H,2-4,6-7,15-17H2,1H3,(H2,31,33)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50198760 (CHEMBL3897031) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C32H46N8O5/c1-19-15-22(41)16-20(2)23(19)18-27-31(45)38-25(12-8-14-36-32(34)35)29(43)39-26(17-21-9-4-3-5-10-21)30(44)37-24(28(42)40-27)11-6-7-13-33/h3-5,9-10,15-16,24-27,41H,6-8,11-14,17-18,33H2,1-2H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H4,34,35,36)/t24-,25+,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50198758 (CHEMBL3908315) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C31H44N8O5/c1-18-14-21(40)15-19(2)22(18)17-26-30(44)37-24(11-7-13-35-31(33)34)28(42)38-25(16-20-8-4-3-5-9-20)29(43)36-23(10-6-12-32)27(41)39-26/h3-5,8-9,14-15,23-26,40H,6-7,10-13,16-17,32H2,1-2H3,(H,36,43)(H,37,44)(H,38,42)(H,39,41)(H4,33,34,35)/t23?,24-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50010704 (CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0869	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on opioid receptor kappa 1				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126521 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES CC(C)OC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:22| Show InChI InChI=1S/C26H29BrN6O5S/c1-15(2)38-24(35)21(14-39-19-9-7-18(27)8-10-19)32-25(36)31-12-4-5-20(33(31)26(32)37)23(34)29-13-17-6-11-22(28)30-16(17)3/h4-11,15,20-21H,12-14H2,1-3H3,(H2,28,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM466723 (US10800761, Example 42 | US10800761, Example 55 | ...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N |r| Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human carbonic anhydrase II (0.1 nM).				Citation and Details
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001157 (CHEMBL538700) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O5/c1-24-17-30(45)18-25(2)31(24)22-32(40)39(49)44-23-29-16-10-9-15-28(29)21-35(44)38(48)43-34(20-27-13-7-4-8-14-27)37(47)42-33(36(41)46)19-26-11-5-3-6-12-26/h3-18,32-35,45H,19-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001157 (CHEMBL538700) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O5/c1-24-17-30(45)18-25(2)31(24)22-32(40)39(49)44-23-29-16-10-9-15-28(29)21-35(44)38(48)43-34(20-27-13-7-4-8-14-27)37(47)42-33(36(41)46)19-26-11-5-3-6-12-26/h3-18,32-35,45H,19-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites				J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50198755 (CHEMBL3979449) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C33H48N8O5/c1-20-15-24(42)16-21(2)25(20)19-28-32(46)40-26(12-8-14-37-33(35)36)30(44)41-27(17-22-9-4-3-5-10-22)31(45)38-23(11-6-7-13-34)18-29(43)39-28/h3-5,9-10,15-16,23,26-28,42H,6-8,11-14,17-19,34H2,1-2H3,(H,38,45)(H,39,43)(H,40,46)(H,41,44)(H4,35,36,37)/t23?,26-,27+,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM85731 ([Dmt1]DALDA) Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by PDSP Ki Database									Eur J Med Chem 35: 895-901 (2000) Article DOI: 10.1016/s0223-5234(00)01171-5 BindingDB Entry DOI: 10.7270/Q23X856N
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50198757 (CHEMBL363142) Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24?,25-,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50493134 (CHEMBL3038184) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H45N7O5/c1-24-17-30(48)18-25(2)31(24)22-34(46-40(42)43)39(52)47-23-29-16-10-9-15-28(29)21-35(47)38(51)45-33(20-27-13-7-4-8-14-27)37(50)44-32(36(41)49)19-26-11-5-3-6-12-26/h3-18,32-35,48H,19-23H2,1-2H3,(H2,41,49)(H,44,50)(H,45,51)(H4,42,43,46)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50493138 (CHEMBL3038186) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C40H44N6O6/c1-24-17-30(47)18-25(2)31(24)22-33(45-40(41)42)38(50)46-23-29-16-10-9-15-28(29)21-35(46)37(49)43-32(19-26-11-5-3-6-12-26)36(48)44-34(39(51)52)20-27-13-7-4-8-14-27/h3-18,32-35,47H,19-23H2,1-2H3,(H,43,49)(H,44,48)(H,51,52)(H4,41,42,45)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM85736 (Dmt-d-Arg-Phe-Orn-NH2 | H-Dmt-D-Arg-Phe-Orn-NH2) Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C31H47N9O5/c1-18-14-21(41)15-19(2)22(18)17-23(33)28(43)39-25(11-7-13-37-31(35)36)29(44)40-26(16-20-8-4-3-5-9-20)30(45)38-24(27(34)42)10-6-12-32/h3-5,8-9,14-15,23-26,41H,6-7,10-13,16-17,32-33H2,1-2H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t23-,24-,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by PDSP Ki Database									Eur J Med Chem 35: 895-901 (2000) Article DOI: 10.1016/s0223-5234(00)01171-5 BindingDB Entry DOI: 10.7270/Q23X856N
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM85732 (Tmt-D-Arg-Phe-Lys-NH2) Show SMILES [#6]-[#7]-[#6@@H](-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C33H51N9O5/c1-20-16-23(43)17-21(2)24(20)19-27(38-3)31(46)41-26(13-9-15-39-33(36)37)30(45)42-28(18-22-10-5-4-6-11-22)32(47)40-25(29(35)44)12-7-8-14-34/h4-6,10-11,16-17,25-28,38,43H,7-9,12-15,18-19,34H2,1-3H3,(H2,35,44)(H,40,47)(H,41,46)(H,42,45)(H4,36,37,39)/t25-,26+,27-,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by PDSP Ki Database									Eur J Med Chem 35: 895-901 (2000) Article DOI: 10.1016/s0223-5234(00)01171-5 BindingDB Entry DOI: 10.7270/Q23X856N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071575 (2,2-Dibutyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-...) Show SMILES CCCCC1(CCCC)C(=O)N2CC(C)=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:14| Show InChI InChI=1S/C33H48N6O6/c1-4-6-16-33(17-7-5-2)31(44)38-21-22(3)20-26(39(38)32(33)45)29(42)37-25(10-8-9-18-34)27(40)30(43)36-19-15-23-11-13-24(14-12-23)28(35)41/h11-14,20,25-26H,4-10,15-19,21,34H2,1-3H3,(H2,35,41)(H,36,43)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM85734 (H-Hmt-D-Arg-Phe-Lys-NH2 I | H-Hmt-D-Arg-Phe-Lys-NH...) Show SMILES [#6]-c1cc(-[#8])ccc1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C31H47N9O5/c1-19-16-22(41)13-12-21(19)18-23(33)28(43)39-25(11-7-15-37-31(35)36)29(44)40-26(17-20-8-3-2-4-9-20)30(45)38-24(27(34)42)10-5-6-14-32/h2-4,8-9,12-13,16,23-26,41H,5-7,10-11,14-15,17-18,32-33H2,1H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t23-,24-,25+,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by PDSP Ki Database									Eur J Med Chem 35: 895-901 (2000) Article DOI: 10.1016/s0223-5234(00)01171-5 BindingDB Entry DOI: 10.7270/Q23X856N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126508 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:27.27,wD:30.31,c:21,(-3.9,4.43,;-3.13,3.1,;-1.59,3.1,;-.82,4.43,;-.82,1.75,;-1.59,.42,;-3.13,.42,;-3.91,-.91,;-3.13,-2.24,;-3.9,-3.57,;-5.45,-3.57,;-6.22,-4.91,;-6.21,-2.24,;-7.76,-2.22,;-5.44,-.89,;.72,1.75,;1.63,3,;1.15,4.47,;3.1,2.52,;4.43,3.29,;5.77,2.52,;5.77,.97,;4.43,.2,;4.43,-1.34,;3.1,-2.11,;5.77,-2.11,;7.1,-1.34,;8.45,-2.11,;9.78,-1.34,;11.11,-2.12,;11.09,-3.66,;12.44,-4.42,;9.76,-4.42,;8.43,-3.65,;3.1,.97,;1.63,.51,;1.15,-.96,)| Show InChI InChI=1S/C24H29Cl2N5O5S/c1-36-22(33)20(13-37-16-8-9-17(25)18(26)11-16)30-23(34)29-10-2-3-19(31(29)24(30)35)21(32)28-12-14-4-6-15(27)7-5-14/h2-3,8-9,11,14-15,19-20H,4-7,10,12-13,27H2,1H3,(H,28,32)/t14-,15-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50299557 ((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C39H42N4O6/c1-24-17-30(44)18-25(2)31(24)22-32(40)38(47)43-23-29-16-10-9-15-28(29)21-35(43)37(46)41-33(19-26-11-5-3-6-12-26)36(45)42-34(39(48)49)20-27-13-7-4-8-14-27/h3-18,32-35,44H,19-23,40H2,1-2H3,(H,41,46)(H,42,45)(H,48,49)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126520 (2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbam...) Show SMILES CCOC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NCc3ccc(N)nc3C)n2c1=O |c:21| Show InChI InChI=1S/C25H27BrN6O5S/c1-3-37-23(34)20(14-38-18-9-7-17(26)8-10-18)31-24(35)30-12-4-5-19(32(30)25(31)36)22(33)28-13-16-6-11-21(27)29-15(16)2/h4-11,19-20H,3,12-14H2,1-2H3,(H2,27,29)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Peptides 19: 1091-8 (1998) Article DOI: 10.1016/s0196-9781(98)00023-0 BindingDB Entry DOI: 10.7270/Q2B27STB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50071570 (8-Isobutyl-2-(4-methoxy-phenyl)-1,3-dioxo-2,3,5,8-...) Show SMILES COc1ccc(cc1)-n1c(=O)n2C(CC(C)C)C=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n2c1=O |c:18| Show InChI InChI=1S/C34H43N7O7/c1-21(2)20-25-13-16-28(41-34(47)39(33(46)40(25)41)24-11-14-26(48-3)15-12-24)31(44)38-27(6-4-5-18-35)29(42)32(45)37-19-17-22-7-9-23(10-8-22)30(36)43/h7-16,21,25,27-28H,4-6,17-20,35H2,1-3H3,(H2,36,43)(H,37,45)(H,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the trypsin enzyme				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071573 (2-(2,2-Diphenyl-ethyl)-1,3-dioxo-2,3,5,8-tetrahydr...) Show SMILES NCCCCC(NC(=O)C1C=CCn2n1c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:10| Show InChI InChI=1S/C37H41N7O6/c38-21-8-7-14-30(32(45)35(48)40-22-20-25-16-18-28(19-17-25)33(39)46)41-34(47)31-15-9-23-43-36(49)42(37(50)44(31)43)24-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-6,9-13,15-19,29-31H,7-8,14,20-24,38H2,(H2,39,46)(H,40,48)(H,41,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50493137 (CHEMBL3038180) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H46N6O5/c1-22-16-27(43)17-23(2)28(22)20-29(38)36(47)42-21-26-13-7-6-12-25(26)19-32(42)35(46)40-30(14-8-9-15-37)34(45)41-31(33(39)44)18-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-32,43H,8-9,14-15,18-21,37-38H2,1-2H3,(H2,39,44)(H,40,46)(H,41,45)/t29-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM85328 (TIPP-PSI | TIPPpsi) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H40N4O5/c38-32(19-27-15-17-31(42)18-16-27)36(44)41-24-29-14-8-7-13-28(29)22-30(41)23-39-33(20-25-9-3-1-4-10-25)35(43)40-34(37(45)46)21-26-11-5-2-6-12-26/h1-18,30,32-34,39,42H,19-24,38H2,(H,40,43)(H,45,46)/t30-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50068664 (2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propion...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations				J Med Chem 36: 3182-7 (1993) BindingDB Entry DOI: 10.7270/Q2F190BW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126526 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(Cl)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:26.26,wD:29.30,c:20,(-3.63,5.15,;-2.86,3.82,;-1.32,3.82,;-.55,5.15,;-.55,2.47,;-1.32,1.14,;-2.86,1.14,;-3.64,-.17,;-2.86,-1.52,;-3.63,-2.85,;-5.18,-2.85,;-5.95,-4.18,;-5.94,-1.52,;-5.17,-.17,;.99,2.47,;1.9,3.73,;1.42,5.2,;3.37,3.24,;4.7,4.01,;6.03,3.24,;6.03,1.7,;4.7,.93,;4.7,-.61,;3.37,-1.38,;6.03,-1.38,;7.37,-.61,;8.71,-1.38,;10.04,-.61,;11.37,-1.4,;11.36,-2.94,;12.7,-3.69,;10.02,-3.69,;8.7,-2.92,;3.37,1.7,;1.9,1.23,;1.41,-.24,)| Show InChI InChI=1S/C24H30ClN5O5S/c1-35-22(32)20(14-36-18-10-6-16(25)7-11-18)29-23(33)28-12-2-3-19(30(28)24(29)34)21(31)27-13-15-4-8-17(26)9-5-15/h2-3,6-7,10-11,15,17,19-20H,4-5,8-9,12-14,26H2,1H3,(H,27,31)/t15-,17-,19?,20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50103978 (CHEMBL436911 | [Dmt1]Dyn A(1-11)-NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C65H108N22O12/c1-7-37(4)53(61(98)84-47(22-15-27-77-65(73)74)62(99)87-28-16-23-50(87)60(97)81-44(54(68)91)19-11-12-24-66)86-57(94)46(21-14-26-76-64(71)72)82-56(93)45(20-13-25-75-63(69)70)83-58(95)48(29-36(2)3)85-59(96)49(32-40-17-9-8-10-18-40)80-52(90)35-78-51(89)34-79-55(92)43(67)33-42-38(5)30-41(88)31-39(42)6/h8-10,17-18,30-31,36-37,43-50,53,88H,7,11-16,19-29,32-35,66-67H2,1-6H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t37-,43-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on opioid receptor kappa 1				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50493132 (CHEMBL3038179) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H48N8O5/c1-22-16-27(46)17-23(2)28(22)20-31(44-37(40)41)36(50)45-21-26-13-7-6-12-25(26)19-32(45)35(49)42-29(14-8-9-15-38)34(48)43-30(33(39)47)18-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-32,46H,8-9,14-15,18-21,38H2,1-2H3,(H2,39,47)(H,42,49)(H,43,48)(H4,40,41,44)/t29-,30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50003571 ((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...) Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Peptides 19: 1091-8 (1998) Article DOI: 10.1016/s0196-9781(98)00023-0 BindingDB Entry DOI: 10.7270/Q2B27STB
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50071571 (8-Isobutyl-2-(3-methyl-butyl)-1,3-dioxo-2,3,5,8-te...) Show SMILES CC(C)CCn1c(=O)n2C(CC(C)C)C=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n2c1=O |c:14| Show InChI InChI=1S/C32H47N7O6/c1-20(2)15-18-37-31(44)38-24(19-21(3)4)12-13-26(39(38)32(37)45)29(42)36-25(7-5-6-16-33)27(40)30(43)35-17-14-22-8-10-23(11-9-22)28(34)41/h8-13,20-21,24-26H,5-7,14-19,33H2,1-4H3,(H2,34,41)(H,35,43)(H,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the trypsin enzyme				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50103978 (CHEMBL436911 | [Dmt1]Dyn A(1-11)-NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C65H108N22O12/c1-7-37(4)53(61(98)84-47(22-15-27-77-65(73)74)62(99)87-28-16-23-50(87)60(97)81-44(54(68)91)19-11-12-24-66)86-57(94)46(21-14-26-76-64(71)72)82-56(93)45(20-13-25-75-63(69)70)83-58(95)48(29-36(2)3)85-59(96)49(32-40-17-9-8-10-18-40)80-52(90)35-78-51(89)34-79-55(92)43(67)33-42-38(5)30-41(88)31-39(42)6/h8-10,17-18,30-31,36-37,43-50,53,88H,7,11-16,19-29,32-35,66-67H2,1-6H3,(H2,68,91)(H,78,89)(H,79,92)(H,80,90)(H,81,97)(H,82,93)(H,83,95)(H,84,98)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t37-,43-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on mu opioid receptor				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C39H45N5O4/c1-25-17-32(45)18-26(2)33(25)22-34(40)39(48)44-24-30-16-10-9-15-29(30)21-31(44)23-42-36(20-28-13-7-4-8-14-28)38(47)43-35(37(41)46)19-27-11-5-3-6-12-27/h3-18,31,34-36,42,45H,19-24,40H2,1-2H3,(H2,41,46)(H,43,47)/t31?,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50080453 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C39H45N5O4/c1-25-17-32(45)18-26(2)33(25)22-34(40)39(48)44-24-30-16-10-9-15-29(30)21-31(44)23-42-36(20-28-13-7-4-8-14-28)38(47)43-35(37(41)46)19-27-11-5-3-6-12-27/h3-18,31,34-36,42,45H,19-24,40H2,1-2H3,(H2,41,46)(H,43,47)/t31?,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites				J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50085050 (CHEMBL152690 | H-Dmt-c [-D-Orn-2-Nal-D-Pro-Gly-]) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C36H44N6O6/c1-21-15-26(43)16-22(2)27(21)19-28(37)33(45)40-29-9-5-13-38-32(44)20-39-35(47)31-10-6-14-42(31)36(48)30(41-34(29)46)18-23-11-12-24-7-3-4-8-25(24)17-23/h3-4,7-8,11-12,15-17,28-31,43H,5-6,9-10,13-14,18-20,37H2,1-2H3,(H,38,44)(H,39,47)(H,40,45)(H,41,46)/t28-,29+,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montr£al Curated by ChEMBL					Assay Description Binding affinity was determined by displacement of [3H]- DSLET at Opioid receptor delta 1 in rat brain membrane homogenates				J Med Chem 43: 551-9 (2000) BindingDB Entry DOI: 10.7270/Q2WQ04H9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50085050 (CHEMBL152690 | H-Dmt-c [-D-Orn-2-Nal-D-Pro-Gly-]) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C36H44N6O6/c1-21-15-26(43)16-22(2)27(21)19-28(37)33(45)40-29-9-5-13-38-32(44)20-39-35(47)31-10-6-14-42(31)36(48)30(41-34(29)46)18-23-11-12-24-7-3-4-8-25(24)17-23/h3-4,7-8,11-12,15-17,28-31,43H,5-6,9-10,13-14,18-20,37H2,1-2H3,(H,38,44)(H,39,47)(H,40,45)(H,41,46)/t28-,29+,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montr£al Curated by ChEMBL					Assay Description Binding affinity was determined by displacement of [3H]- DAMGO at Opioid receptor mu 1 in rat brain membrane homogenates				J Med Chem 43: 551-9 (2000) BindingDB Entry DOI: 10.7270/Q2WQ04H9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50003571 ((-)-3-Hydroxy-N-methylmorphinan hydrochloride (lev...) Show SMILES CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Peptides 19: 1091-8 (1998) Article DOI: 10.1016/s0196-9781(98)00023-0 BindingDB Entry DOI: 10.7270/Q2B27STB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50493134 (CHEMBL3038184) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H45N7O5/c1-24-17-30(48)18-25(2)31(24)22-34(46-40(42)43)39(52)47-23-29-16-10-9-15-28(29)21-35(47)38(51)45-33(20-27-13-7-4-8-14-27)37(50)44-32(36(41)49)19-26-11-5-3-6-12-26/h3-18,32-35,48H,19-23H2,1-2H3,(H2,41,49)(H,44,50)(H,45,51)(H4,42,43,46)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.518	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by PDSP Ki Database									Peptides 19: 1091-8 (1998) Article DOI: 10.1016/s0196-9781(98)00023-0 BindingDB Entry DOI: 10.7270/Q2B27STB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010704 (CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on mu opioid receptor				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001456 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C46H66N10O10/c1-5-7-14-33(51-41(61)32(47)21-29-16-18-31(57)19-17-29)43(63)55-37(22-28-12-10-9-11-13-28)45(65)56-38(23-30-25-49-26-50-30)46(66)54-36(20-27(3)4)44(64)52-34(15-8-6-2)42(62)53-35(40(48)60)24-39(58)59/h9-13,16-19,25-27,32-38,57H,5-8,14-15,20-24,47H2,1-4H3,(H2,48,60)(H,49,50)(H,51,61)(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,65)(H,58,59)/t32-,33+,34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.665	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane				J Med Chem 35: 3956-61 (1992) BindingDB Entry DOI: 10.7270/Q2H70DRH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50198754 (CHEMBL3924888) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C33H48N8O5/c1-20-16-23(42)17-21(2)24(20)19-28-32(46)39-26(13-7-9-15-37-33(35)36)29(43)40-27(18-22-10-4-3-5-11-22)31(45)38-25(30(44)41-28)12-6-8-14-34/h3-5,10-11,16-17,25-28,42H,6-9,12-15,18-19,34H2,1-2H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44)(H4,35,36,37)/t25-,26+,27-,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.733	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126500 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) Show SMILES COC(=O)C(CSc1ccc(OC)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:27.27,wD:30.31,c:21,(-2.09,4.45,;-1.32,3.1,;.22,3.1,;.99,4.43,;.99,1.77,;.22,.44,;-1.32,.44,;-2.09,-.89,;-3.63,-.89,;-4.4,-2.22,;-3.63,-3.55,;-4.4,-4.88,;-3.63,-6.21,;-2.09,-3.55,;-1.32,-2.22,;2.53,1.77,;3.44,3.03,;2.97,4.48,;4.91,2.54,;6.24,3.31,;7.58,2.54,;7.58,1,;6.24,.23,;6.24,-1.31,;4.91,-2.08,;7.58,-2.08,;8.92,-1.31,;10.25,-2.08,;11.58,-1.31,;12.91,-2.11,;12.91,-3.65,;14.24,-4.41,;11.57,-4.41,;10.25,-3.64,;4.91,1,;3.44,.51,;2.96,-.94,)| Show InChI InChI=1S/C25H33N5O6S/c1-35-18-9-11-19(12-10-18)37-15-21(23(32)36-2)29-24(33)28-13-3-4-20(30(28)25(29)34)22(31)27-14-16-5-7-17(26)8-6-16/h3-4,9-12,16-17,20-21H,5-8,13-15,26H2,1-2H3,(H,27,31)/t16-,17-,20?,21?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50198755 (CHEMBL3979449) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C33H48N8O5/c1-20-15-24(42)16-21(2)25(20)19-28-32(46)40-26(12-8-14-37-33(35)36)30(44)41-27(17-22-9-4-3-5-10-22)31(45)38-23(11-6-7-13-34)18-29(43)39-28/h3-5,9-10,15-16,23,26-28,42H,6-8,11-14,17-19,34H2,1-2H3,(H,38,45)(H,39,43)(H,40,46)(H,41,44)(H4,35,36,37)/t23?,26-,27+,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.786	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50493133 (CHEMBL3038185) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H47N7O4/c1-25-17-32(48)18-26(2)33(25)22-36(46-40(42)43)39(51)47-24-30-16-10-9-15-29(30)21-31(47)23-44-35(20-28-13-7-4-8-14-28)38(50)45-34(37(41)49)19-27-11-5-3-6-12-27/h3-18,31,34-36,44,48H,19-24H2,1-2H3,(H2,41,49)(H,45,50)(H4,42,43,46)/t31-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.789	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 23: 5082-5 (2013) Article DOI: 10.1016/j.bmcl.2013.07.036 BindingDB Entry DOI: 10.7270/Q2RN3BSK
					More data for this Ligand-Target Pair

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