Compile Data Set for Download or QSAR

Found 1875 hits with Last Name = 'zhao' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430798 (CHEMBL2335120) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27+,29+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00372	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430801 (CHEMBL2334776) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30+,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00986	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430802 (CHEMBL2334775) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27-,29-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0128	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430803 (CHEMBL2334774) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30-,32-,33+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0137	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430799 (CHEMBL2334772) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H41N5O6/c1-21-16-26(43)17-22(2)28(21)19-29(38)36(46)42-15-9-14-32(42)35(45)40-31(18-25-20-39-30-13-8-7-12-27(25)30)34(44)41-33(23(3)37(47)48)24-10-5-4-6-11-24/h4-8,10-13,16-17,20,29,31-33,39,43H,3,9,14-15,18-19,38H2,1-2H3,(H,40,45)(H,41,44)(H,47,48)/t29-,31-,32-,33+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0322	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430800 (CHEMBL2334773) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccco1 |r| Show InChI InChI=1S/C35H39N5O7/c1-19-14-23(41)15-20(2)25(19)17-26(36)34(44)40-12-6-10-29(40)33(43)38-28(16-22-18-37-27-9-5-4-8-24(22)27)32(42)39-31(21(3)35(45)46)30-11-7-13-47-30/h4-5,7-9,11,13-15,18,26,28-29,31,37,41H,3,6,10,12,16-17,36H2,1-2H3,(H,38,43)(H,39,42)(H,45,46)/t26-,28-,29-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0405	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430806 (CHEMBL2334771) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-7-4-14-45-28)38-32(43)27(16-22-17-36-26-6-3-2-5-24(22)26)37-31(42)21-12-13-39(18-21)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-11,14,17,21,25,27,29,36,40H,1,12-13,15-16,18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t21-,25+,27+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.165	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395060 (CHEMBL2163916) 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](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-9-5-15-45-28)38-31(42)26(17-21-18-36-25-7-3-2-6-23(21)25)37-32(43)27-8-4-14-39(27)33(44)24(34)16-20-10-12-22(40)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,36,40H,1,4,8,14,16-17,34H2,(H2,35,41)(H,37,43)(H,38,42)/t24-,26-,27-,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.221	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395059 (CHEMBL2163917) 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](C(=C)C(N)=O)c1ccoc1 |r| Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(21-12-14-45-18-21)38-31(42)27(16-22-17-36-26-6-3-2-5-24(22)26)37-32(43)28-7-4-13-39(28)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-3,5-6,8-12,14,17-18,25,27-29,36,40H,1,4,7,13,15-16,34H2,(H2,35,41)(H,37,43)(H,38,42)/t25-,27-,28-,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.274	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430807 (CHEMBL2334770) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-7-3-2-4-8-23)40-34(45)30(18-25-19-38-29-10-6-5-9-27(25)29)39-33(44)24-15-16-41(20-24)35(46)28(36)17-22-11-13-26(42)14-12-22/h2-14,19,24,28,30-31,38,42H,1,15-18,20,36H2,(H2,37,43)(H,39,44)(H,40,45)/t24-,28+,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.296	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395068 (CHEMBL2163921) 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](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.535	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430805 (CHEMBL2334768) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-7-3-2-4-8-23)40-34(45)30(18-25-19-38-29-10-6-5-9-27(25)29)39-33(44)24-15-16-41(20-24)35(46)28(36)17-22-11-13-26(42)14-12-22/h2-14,19,24,28,30-31,38,42H,1,15-18,20,36H2,(H2,37,43)(H,39,44)(H,40,45)/t24-,28-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.574	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114424 BindingDB Entry DOI: 10.7270/Q2VX0MHV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50430804 (CHEMBL2334769) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-7-4-14-45-28)38-32(43)27(16-22-17-36-26-6-3-2-5-24(22)26)37-31(42)21-12-13-39(18-21)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-11,14,17,21,25,27,29,36,40H,1,12-13,15-16,18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t21-,25-,27-,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.758	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 FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.60	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.20	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114424 BindingDB Entry DOI: 10.7270/Q2VX0MHV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395064 (CHEMBL2163912) 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](C(=C)C(N)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-6-4-7-24(36)17-22)41-33(45)29(18-23-19-39-28-9-3-2-8-26(23)28)40-34(46)30-10-5-15-42(30)35(47)27(37)16-21-11-13-25(43)14-12-21/h2-4,6-9,11-14,17,19,27,29-31,39,43H,1,5,10,15-16,18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114424 BindingDB Entry DOI: 10.7270/Q2VX0MHV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395062 (CHEMBL2163914) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=C)C(N)=O |r| Show InChI InChI=1S/C36H40N6O6/c1-21(33(38)44)32(23-11-15-26(48-2)16-12-23)41-34(45)30(19-24-20-39-29-7-4-3-6-27(24)29)40-35(46)31-8-5-17-42(31)36(47)28(37)18-22-9-13-25(43)14-10-22/h3-4,6-7,9-16,20,28,30-32,39,43H,1,5,8,17-19,37H2,2H3,(H2,38,44)(H,40,46)(H,41,45)/t28-,30-,31-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395063 (CHEMBL2163913) 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](C(=C)C(N)=O)c1ccccc1Cl |r| Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(25-8-2-4-9-26(25)36)41-33(45)29(18-22-19-39-28-10-5-3-7-24(22)28)40-34(46)30-11-6-16-42(30)35(47)27(37)17-21-12-14-23(43)15-13-21/h2-5,7-10,12-15,19,27,29-31,39,43H,1,6,11,16-18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251114 (CHEMBL4076860) Show SMILES CC[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H24ClN7O/c1-2-14-11-29(8-7-23-14)21(30)20-24-16-6-5-13(22)9-15(16)19(26-20)25-18-10-17(27-28-18)12-3-4-12/h5-6,9-10,12,14,23H,2-4,7-8,11H2,1H3,(H2,24,25,26,27,28)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251178 (CHEMBL4081464) Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccc(Cl)cc2n1 |r| Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-16-8-13(21)4-5-14(16)18(25-19)24-17-9-15(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395065 (CHEMBL2163911) 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](C(=C)C(N)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-10-12-24(36)13-11-22)41-33(45)29(18-23-19-39-28-6-3-2-5-26(23)28)40-34(46)30-7-4-16-42(30)35(47)27(37)17-21-8-14-25(43)15-9-21/h2-3,5-6,8-15,19,27,29-31,39,43H,1,4,7,16-18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114424 BindingDB Entry DOI: 10.7270/Q2VX0MHV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395061 (CHEMBL2163915) 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](C(=C)C(N)=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C36H38N6O7/c1-20(33(38)44)32(22-10-13-30-31(17-22)49-19-48-30)41-34(45)28(16-23-18-39-27-6-3-2-5-25(23)27)40-35(46)29-7-4-14-42(29)36(47)26(37)15-21-8-11-24(43)12-9-21/h2-3,5-6,8-13,17-18,26,28-29,32,39,43H,1,4,7,14-16,19,37H2,(H2,38,44)(H,40,46)(H,41,45)/t26-,28-,29-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251098 (CHEMBL4097816) Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r| Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50251103 (CHEMBL4084054) Show SMILES Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1 Show InChI InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251142 (CHEMBL4089338) Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Br)ccc2n1 |r| Show InChI InChI=1S/C20H22BrN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395066 (CHEMBL2163910) 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](C(=C)C(N)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H37FN6O5/c1-20(32(38)44)31(22-10-12-24(36)13-11-22)41-33(45)29(18-23-19-39-28-6-3-2-5-26(23)28)40-34(46)30-7-4-16-42(30)35(47)27(37)17-21-8-14-25(43)15-9-21/h2-3,5-6,8-15,19,27,29-31,39,43H,1,4,7,16-18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251106 (CHEMBL4064068) Show SMILES Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)17(23-16-10-15(25-26-16)11-1-2-11)24-18(22-14)19(28)27-7-5-21-6-8-27/h3-4,9-11,21H,1-2,5-8H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251179 (CHEMBL4076708) Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 Show InChI InChI=1S/C19H22ClN7/c20-12-3-4-15-14(9-12)18(23-17-10-16(25-26-17)11-1-2-11)24-19(22-15)27-7-5-13(21)6-8-27/h3-4,9-11,13H,1-2,5-8,21H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395067 (CHEMBL2163922) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=C)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H37N5O5/c1-21(31(36)41)29(24-10-5-3-6-11-24)37-32(42)22(2)30(25-12-7-4-8-13-25)38-33(43)28-14-9-19-39(28)34(44)27(35)20-23-15-17-26(40)18-16-23/h3-8,10-13,15-18,27-30,40H,1-2,9,14,19-20,35H2,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29+,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251140 (CHEMBL4059493) Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H22FN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251111 (CHEMBL4090101) Show SMILES C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r| Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251137 (CHEMBL4101547) Show SMILES C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1 |r| Show InChI InChI=1S/C20H23N7O/c1-12-11-27(9-8-21-12)20(28)19-22-15-5-3-2-4-14(15)18(24-19)23-17-10-16(25-26-17)13-6-7-13/h2-5,10,12-13,21H,6-9,11H2,1H3,(H2,22,23,24,25,26)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229128 (CHEMBL401401 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C36H36N2O6S/c1-26-12-14-28(15-13-26)24-32(38-35(39)29-17-19-33-34(25-29)44-22-21-43-33)36(40)37-30(18-16-27-8-4-2-5-9-27)20-23-45(41,42)31-10-6-3-7-11-31/h2-15,17,19-20,23,25,30,32H,16,18,21-22,24H2,1H3,(H,37,40)(H,38,39)/b23-20+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50430803 (CHEMBL2334774) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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]DPDPE from Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50430798 (CHEMBL2335120) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27+,29+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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]DPDPE from Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50430800 (CHEMBL2334773) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccco1 |r| Show InChI InChI=1S/C35H39N5O7/c1-19-14-23(41)15-20(2)25(19)17-26(36)34(44)40-12-6-10-29(40)33(43)38-28(16-22-18-37-27-9-5-4-8-24(22)27)32(42)39-31(21(3)35(45)46)30-11-7-13-47-30/h4-5,7-9,11,13-15,18,26,28-29,31,37,41H,3,6,10,12,16-17,36H2,1-2H3,(H,38,43)(H,39,42)(H,45,46)/t26-,28-,29-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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]DPDPE from Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251197 (CHEMBL4063425) Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r| Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50430799 (CHEMBL2334772) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H41N5O6/c1-21-16-26(43)17-22(2)28(21)19-29(38)36(46)42-15-9-14-32(42)35(45)40-31(18-25-20-39-30-13-8-7-12-27(25)30)34(44)41-33(23(3)37(47)48)24-10-5-4-6-11-24/h4-8,10-13,16-17,20,29,31-33,39,43H,3,9,14-15,18-19,38H2,1-2H3,(H,40,45)(H,41,44)(H,47,48)/t29-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395058 (CHEMBL2163918) 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](C(=C)C(N)=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50430801 (CHEMBL2334776) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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 Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395057 (CHEMBL2163919) 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](C(=C)C(N)=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(27-15-14-25-7-2-3-8-26(25)20-27)44-37(48)33(21-28-22-42-32-10-5-4-9-30(28)32)43-38(49)34-11-6-18-45(34)39(50)31(40)19-24-12-16-29(46)17-13-24/h2-5,7-10,12-17,20,22,31,33-35,42,46H,1,6,11,18-19,21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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 FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251113 (CHEMBL4077032) Show SMILES C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r| Show InChI InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50430802 (CHEMBL2334775) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27-,29-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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 Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation...				J Med Chem 56: 3102-14 (2013) Article DOI: 10.1021/jm400195y BindingDB Entry DOI: 10.7270/Q2KS6SW8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251143 (CHEMBL4068155) Show SMILES COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCN[C@H](C)C1 |r| Show InChI InChI=1S/C21H25N7O2/c1-12-11-28(8-7-22-12)21(29)20-23-16-6-5-14(30-2)9-15(16)19(25-20)24-18-10-17(26-27-18)13-3-4-13/h5-6,9-10,12-13,22H,3-4,7-8,11H2,1-2H3,(H2,23,24,25,26,27)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50251105 (CHEMBL4093999) Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNCC2)n[nH]1 Show InChI InChI=1S/C17H18ClN7O/c1-10-8-14(24-23-10)21-15-12-9-11(18)2-3-13(12)20-16(22-15)17(26)25-6-4-19-5-7-25/h2-3,8-9,19H,4-7H2,1H3,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...				J Med Chem 61: 265-285 (2018) Article DOI: 10.1021/acs.jmedchem.7b01342 BindingDB Entry DOI: 10.7270/Q2BK1FSN
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229117 (CHEMBL399181 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C35H33F3N2O4S/c1-25-12-14-27(15-13-25)24-32(40-33(41)28-17-19-29(20-18-28)35(36,37)38)34(42)39-30(21-16-26-8-4-2-5-9-26)22-23-45(43,44)31-10-6-3-7-11-31/h2-15,17-20,22-23,30,32H,16,21,24H2,1H3,(H,39,42)(H,40,41)/b23-22+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair

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