Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'luo' and Initial = 'k'   

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
Serine protease 1 (Bos taurus (bovine))	BDBM50124947 (CHEMBL453539) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 mins				J Med Chem 60: 504-510 (2017) Article DOI: 10.1021/acs.jmedchem.6b01011 BindingDB Entry DOI: 10.7270/Q2RJ4MRS
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50124947 (CHEMBL453539) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of bovine beta-trypsin using N-t-Boc Gln-Ala-Arg-AMC as substrate preincubated with enzyme followed by substrate addition by Dixon plot an...				J Med Chem 60: 504-510 (2017) Article DOI: 10.1021/acs.jmedchem.6b01011 BindingDB Entry DOI: 10.7270/Q2RJ4MRS
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50124947 (CHEMBL453539) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo...				J Med Chem 60: 504-510 (2017) Article DOI: 10.1021/acs.jmedchem.6b01011 BindingDB Entry DOI: 10.7270/Q2RJ4MRS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545388 (CHEMBL4647561) Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H37N7O7/c1-18(30(35)43)29(28-8-5-13-47-28)40-32(45)26(15-21-16-37-25-7-4-3-6-23(21)25)38-33(46)27(17-36-19(2)41)39-31(44)24(34)14-20-9-11-22(42)12-10-20/h3-13,16,24,26-27,29,37,42H,1,14-15,17,34H2,2H3,(H2,35,43)(H,36,41)(H,38,46)(H,39,44)(H,40,45)/t24-,26-,27+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545392 (CHEMBL4642564) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C34H41N9O6/c1-19(30(36)45)29(28-9-5-15-49-28)43-33(48)27(17-21-18-40-25-7-3-2-6-23(21)25)42-32(47)26(8-4-14-39-34(37)38)41-31(46)24(35)16-20-10-12-22(44)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,40,44H,1,4,8,14,16-17,35H2,(H2,36,45)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50233907 (CHEMBL4102547) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C88H141N23O21S2/c1-8-49(5)68-81(126)103-60-46-133-134-47-61(77(122)106-70(51(7)114)82(127)97-54(26-14-16-34-90)72(117)100-58(44-112)75(120)105-69(50(6)9-2)87(132)111-40-22-32-66(111)86(131)109-38-20-30-64(109)80(125)104-68)102-73(118)56(41-48(3)4)99-79(124)63-29-19-36-107(63)84(129)59(45-113)101-74(119)57(42-52-23-11-10-12-24-52)95-67(115)43-94-78(123)62-28-18-37-108(62)85(130)65-31-21-39-110(65)83(128)55(27-17-35-93-88(91)92)98-71(116)53(96-76(60)121)25-13-15-33-89/h10-12,23-24,48-51,53-66,68-70,112-114H,8-9,13-22,25-47,89-90H2,1-7H3,(H,94,123)(H,95,115)(H,96,121)(H,97,127)(H,98,116)(H,99,124)(H,100,117)(H,101,119)(H,102,118)(H,103,126)(H,104,125)(H,105,120)(H,106,122)(H4,91,92,93)/t49-,50-,51+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,68-,69-,70-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo...				J Med Chem 60: 504-510 (2017) Article DOI: 10.1021/acs.jmedchem.6b01011 BindingDB Entry DOI: 10.7270/Q2RJ4MRS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545394 (CHEMBL4640310) Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C31H35N7O6/c1-17(28(34)40)27(26-7-4-12-44-26)38-30(42)24(14-19-16-35-23-6-3-2-5-21(19)23)36-31(43)25(15-32)37-29(41)22(33)13-18-8-10-20(39)11-9-18/h2-12,16,22,24-25,27,35,39H,1,13-15,32-33H2,(H2,34,40)(H,36,43)(H,37,41)(H,38,42)/t22-,24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545390 (CHEMBL4633024) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C34H40N8O7/c1-19(30(36)44)29(28-9-5-15-49-28)42-33(47)27(17-21-18-39-25-7-3-2-6-23(21)25)41-32(46)26(8-4-14-38-34(37)48)40-31(45)24(35)16-20-10-12-22(43)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,39,43H,1,4,8,14,16-17,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H3,37,38,48)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545386 (CHEMBL4644694) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545389 (CHEMBL4646736) Show SMILES CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C36H43N7O7/c1-21(33(38)46)32(31-11-7-17-50-31)43-36(49)30(19-24-20-40-28-9-4-3-8-26(24)28)42-35(48)29(10-5-6-16-39-22(2)44)41-34(47)27(37)18-23-12-14-25(45)15-13-23/h3-4,7-9,11-15,17,20,27,29-30,32,40,45H,1,5-6,10,16,18-19,37H2,2H3,(H2,38,46)(H,39,44)(H,41,47)(H,42,48)(H,43,49)/t27-,29+,30-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50124947 (CHEMBL453539) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of bovine beta-trypsin				J Med Chem 60: 504-510 (2017) Article DOI: 10.1021/acs.jmedchem.6b01011 BindingDB Entry DOI: 10.7270/Q2RJ4MRS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50095155 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50139013 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545387 (CHEMBL4645094) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H40N8O6/c1-19(28(34)42)27(26-10-6-16-46-26)40-31(45)25(18-20-7-3-2-4-8-20)39-30(44)24(9-5-15-37-32(35)36)38-29(43)23(33)17-21-11-13-22(41)14-12-21/h2-4,6-8,10-14,16,23-25,27,41H,1,5,9,15,17-18,33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/t23-,24+,25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545385 (CHEMBL4635430) Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C31H36N6O7/c1-18(28(33)40)27(26-9-6-14-44-26)37-30(42)24(16-20-7-4-3-5-8-20)35-31(43)25(17-34-19(2)38)36-29(41)23(32)15-21-10-12-22(39)13-11-21/h3-14,23-25,27,39H,1,15-17,32H2,2H3,(H2,33,40)(H,34,38)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545395 (CHEMBL4638662) Show SMILES NCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H37N7O6/c1-18(29(35)41)28(27-7-4-14-45-27)39-32(44)26(16-20-17-36-24-6-3-2-5-22(20)24)38-31(43)25(12-13-33)37-30(42)23(34)15-19-8-10-21(40)11-9-19/h2-11,14,17,23,25-26,28,36,40H,1,12-13,15-16,33-34H2,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t23-,25+,26-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545391 (CHEMBL4638811) Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545398 (CHEMBL4642698) Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C29H34N6O6/c1-17(26(32)37)25(24-8-5-13-41-24)35-28(39)22(15-18-6-3-2-4-7-18)33-29(40)23(16-30)34-27(38)21(31)14-19-9-11-20(36)12-10-19/h2-13,21-23,25,36H,1,14-16,30-31H2,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t21-,22-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579459 (CHEMBL4863322) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(=O)(=O)c2ncc[nH]2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579460 (CHEMBL4857707) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579456 (CHEMBL4863017) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579458 (CHEMBL4862554) Show SMILES CNS(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545397 (CHEMBL4635184) Show SMILES NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C34H41N7O6/c1-20(31(37)43)30(29-10-6-16-47-29)41-34(46)28(18-22-19-38-26-8-3-2-7-24(22)26)40-33(45)27(9-4-5-15-35)39-32(44)25(36)17-21-11-13-23(42)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,38,42H,1,4-5,9,15,17-18,35-36H2,(H2,37,43)(H,39,44)(H,40,45)(H,41,46)/t25-,27+,28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579457 (CHEMBL4846481) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545396 (CHEMBL4638691) Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545393 (CHEMBL4634908) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C35H43N9O6/c1-20(31(37)46)30(29-10-6-16-50-29)44-34(49)28(18-22-19-41-26-8-3-2-7-24(22)26)43-33(48)27(9-4-5-15-40-35(38)39)42-32(47)25(36)17-21-11-13-23(45)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,41,45H,1,4-5,9,15,17-18,36H2,(H2,37,46)(H,42,47)(H,43,48)(H,44,49)(H4,38,39,40)/t25-,27+,28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545396 (CHEMBL4638691) Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579461 (CHEMBL4854153) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NCc2ncc[nH]2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579453 (CHEMBL4875904) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579456 (CHEMBL4863017) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545387 (CHEMBL4645094) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C32H40N8O6/c1-19(28(34)42)27(26-10-6-16-46-26)40-31(45)25(18-20-7-3-2-4-8-20)39-30(44)24(9-5-15-37-32(35)36)38-29(43)23(33)17-21-11-13-22(41)14-12-21/h2-4,6-8,10-14,16,23-25,27,41H,1,5,9,15,17-18,33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/t23-,24+,25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	922	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545392 (CHEMBL4642564) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C34H41N9O6/c1-19(30(36)45)29(28-9-5-15-49-28)43-33(48)27(17-21-18-40-25-7-3-2-6-23(21)25)42-32(47)26(8-4-14-39-34(37)38)41-31(46)24(35)16-20-10-12-22(44)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,40,44H,1,4,8,14,16-17,35H2,(H2,36,45)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579454 (CHEMBL4868118) Show SMILES COc1cc(ccc1NS(C)(=O)=O)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579453 (CHEMBL4875904) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579452 (CHEMBL4846039) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579447 (CHEMBL4874818) Show SMILES COc1cnccc1-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579445 (CHEMBL4859588) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccccc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579448 (CHEMBL4851756) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1cccc2[nH]ccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579446 (CHEMBL4860976) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579449 (CHEMBL4872496) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccnc2[nH]ccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579450 (CHEMBL4876721) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1c(C)ccc2[nH]ncc12 |(14.09,-43.85,;13.41,-45.23,;11.92,-45.48,;11.7,-46.97,;10.37,-47.75,;9.03,-46.99,;7.7,-47.76,;7.7,-49.3,;6.36,-50.07,;9.03,-50.08,;10.36,-49.31,;11.7,-50.08,;13.05,-49.31,;14.39,-50.09,;13.05,-47.64,;14.1,-46.56,;6.37,-46.99,;6.37,-45.45,;7.71,-44.68,;5.04,-44.68,;3.71,-45.45,;3.71,-47,;2.58,-48.03,;3.21,-49.42,;4.73,-49.25,;5.04,-47.75,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579451 (CHEMBL4864303) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545391 (CHEMBL4638811) Show SMILES CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H38N6O6/c1-3-7-26(37-31(42)24(34)16-20-11-13-22(40)14-12-20)32(43)38-27(17-21-18-36-25-9-5-4-8-23(21)25)33(44)39-29(19(2)30(35)41)28-10-6-15-45-28/h4-6,8-15,18,24,26-27,29,36,40H,2-3,7,16-17,34H2,1H3,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545389 (CHEMBL4646736) Show SMILES CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C36H43N7O7/c1-21(33(38)46)32(31-11-7-17-50-31)43-36(49)30(19-24-20-40-28-9-4-3-8-26(24)28)42-35(48)29(10-5-6-16-39-22(2)44)41-34(47)27(37)18-23-12-14-25(45)15-13-23/h3-4,7-9,11-15,17,20,27,29-30,32,40,45H,1,5-6,10,16,18-19,37H2,2H3,(H2,38,46)(H,39,44)(H,41,47)(H,42,48)(H,43,49)/t27-,29+,30-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579435 (CHEMBL4863477) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545390 (CHEMBL4633024) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C34H40N8O7/c1-19(30(36)44)29(28-9-5-15-49-28)42-33(47)27(17-21-18-39-25-7-3-2-6-23(21)25)41-32(46)26(8-4-14-38-34(37)48)40-31(45)24(35)16-20-10-12-22(43)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,39,43H,1,4,8,14,16-17,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H3,37,38,48)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545393 (CHEMBL4634908) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C35H43N9O6/c1-20(31(37)46)30(29-10-6-16-50-29)44-34(49)28(18-22-19-41-26-8-3-2-7-24(22)26)43-33(48)27(9-4-5-15-40-35(38)39)42-32(47)25(36)17-21-11-13-23(45)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,41,45H,1,4-5,9,15,17-18,36H2,(H2,37,46)(H,42,47)(H,43,48)(H,44,49)(H4,38,39,40)/t25-,27+,28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50545394 (CHEMBL4640310) Show SMILES NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C31H35N7O6/c1-17(28(34)40)27(26-7-4-12-44-26)38-30(42)24(14-19-16-35-23-6-3-2-5-21(19)23)36-31(43)25(15-32)37-29(41)22(33)13-18-8-10-20(39)11-9-18/h2-12,16,22,24-25,27,35,39H,1,13-15,32-33H2,(H2,34,40)(H,36,43)(H,37,41)(H,38,42)/t22-,24-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115438 BindingDB Entry DOI: 10.7270/Q2F47SQM
					More data for this Ligand-Target Pair

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