Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'winkler' and Initial = 'da'   

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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423836 (CHEMBL1829034) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@@H](NC(=O)[C@@]2(C)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H28Cl2N2O7S/c1-28(11-12-32(28)40(36,37)21-15-19(29)14-20(30)16-21)27(35)31-22(26(33)34)13-17-7-9-18(10-8-17)25-23(38-2)5-4-6-24(25)39-3/h4-10,14-16,22H,11-13H2,1-3H3,(H,31,35)(H,33,34)/t22-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50105400 ((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...) Show SMILES CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)c(OC)c1)C(O)=O Show InChI InChI=1S/C24H30N2O7S/c1-4-5-10-19(24(28)29)25-23(27)20-13-16-8-6-7-9-17(16)15-26(20)34(30,31)18-11-12-21(32-2)22(14-18)33-3/h6-9,11-12,14,19-20H,4-5,10,13,15H2,1-3H3,(H,25,27)(H,28,29)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50095248 ((S)-2-[((S)-1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1C(=O)CC2(CCCC2)CC1=O)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C30H33N3O6/c34-25-13-12-24(32(25)19-21-6-2-1-3-7-21)28(37)31-23(29(38)39)16-20-8-10-22(11-9-20)33-26(35)17-30(18-27(33)36)14-4-5-15-30/h1-3,6-11,23-24H,4-5,12-19H2,(H,31,37)(H,38,39)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423837 (CHEMBL1829035) Show SMILES COCCCC[C@]1(CCCO1)C(=O)N[C@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O |r| Show InChI InChI=1S/C27H35NO7/c1-32-16-5-4-14-27(15-7-17-35-27)26(31)28-21(25(29)30)18-19-10-12-20(13-11-19)24-22(33-2)8-6-9-23(24)34-3/h6,8-13,21H,4-5,7,14-18H2,1-3H3,(H,28,31)(H,29,30)/t21-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50124286 (3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-((S)-toluene-4-...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCCC2)S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C30H33NO6S/c1-21-10-16-24(17-11-21)38(35,36)30(18-6-3-7-19-30)29(34)31-26(28(32)33)20-22-12-14-23(15-13-22)25-8-4-5-9-27(25)37-2/h4-5,8-17,26H,3,6-7,18-20H2,1-2H3,(H,31,34)(H,32,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423833 (CHEMBL1828842) Show SMILES OC(=O)CC[C@H](NCS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C28H28Cl2N2O8S/c29-22-7-4-8-23(30)21(22)16-40-19-11-9-18(10-12-19)15-25(28(36)37)32-27(35)24(13-14-26(33)34)31-17-41(38,39)20-5-2-1-3-6-20/h1-12,24-25,31H,13-17H2,(H,32,35)(H,33,34)(H,36,37)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423830 (CHEMBL1828839) Show SMILES CC(C)C(=O)Oc1cccc(OC(=O)C(C)C)c1-c1ccc(C[C@@H](NC(=O)[C@@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C35H38Cl2N2O9S/c1-20(2)32(42)47-28-8-6-9-29(48-33(43)21(3)4)30(28)23-12-10-22(11-13-23)16-27(31(40)41)38-34(44)35(5)14-7-15-39(35)49(45,46)26-18-24(36)17-25(37)19-26/h6,8-13,17-21,27H,7,14-16H2,1-5H3,(H,38,44)(H,40,41)/t27-,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423832 (CHEMBL1828841) Show SMILES CS(=O)(=O)CCCCC1(CCC1)C(=O)N[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C26H30Cl2N2O6S/c1-37(35,36)15-3-2-12-26(13-5-14-26)25(34)30-21(24(32)33)16-17-8-10-18(11-9-17)29-23(31)22-19(27)6-4-7-20(22)28/h4,6-11,21H,2-3,5,12-16H2,1H3,(H,29,31)(H,30,34)(H,32,33)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50117056 ((S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-di...) Show SMILES Cc1cccc(Br)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C24H19BrCl2N2O4/c1-13-4-2-5-16(25)20(13)22(30)29-19(24(32)33)12-14-8-10-15(11-9-14)28-23(31)21-17(26)6-3-7-18(21)27/h2-11,19H,12H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50113545 ((S)-2-[(4,5-Dihydro-pyrazole-1-carbonyl)-amino]-3-...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)N2CCC=N2)C(O)=O)cc1 |c:21| Show InChI InChI=1S/C20H21N3O4/c1-27-18-6-3-2-5-16(18)15-9-7-14(8-10-15)13-17(19(24)25)22-20(26)23-12-4-11-21-23/h2-3,5-11,17H,4,12-13H2,1H3,(H,22,26)(H,24,25)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119087 ((S)-2-(2-Chloro-benzoylamino)-3-(2'-{[2-(4-hydroxy...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccc(O)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-8-4-3-7-27(28)30(36)34-29(31(37)38)19-22-9-13-23(14-10-22)26-6-2-1-5-24(26)20-33-18-17-21-11-15-25(35)16-12-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50116198 ((S)-2-[2-(2-Chloro-phenyl)-acetylamino]-3-(2'-meth...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C24H22ClNO4/c1-30-22-9-5-3-7-19(22)17-12-10-16(11-13-17)14-21(24(28)29)26-23(27)15-18-6-2-4-8-20(18)25/h2-13,21H,14-15H2,1H3,(H,26,27)(H,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50089009 ((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...) Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(F)cccc2F)cc1)C(O)=O Show InChI InChI=1S/C22H22F2N2O5S/c1-13(27)26-12-32-11-20(26)21(28)25-19(22(29)30)9-14-5-7-15(8-6-14)31-10-16-17(23)3-2-4-18(16)24/h2-8,19-20H,9-12H2,1H3,(H,25,28)(H,29,30)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423835 (CHEMBL1829033) Show SMILES CCCNc1c(N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(O)=O)c(=O)c1=O |r| Show InChI InChI=1S/C23H22Cl2N2O5/c1-2-10-26-19-20(22(29)21(19)28)27-18(23(30)31)11-13-6-8-14(9-7-13)32-12-15-16(24)4-3-5-17(15)25/h3-9,18,26-27H,2,10-12H2,1H3,(H,30,31)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423834 (CHEMBL1829032) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1Cl |r,wU:25.26,3.23,(.1,-5.47,;.07,-3.93,;1.39,-3.13,;-1.28,-3.19,;-1.31,-1.65,;0,-.85,;1.35,-1.6,;2.67,-.81,;2.64,.74,;3.95,1.54,;5.3,.8,;5.34,-.74,;6.62,1.6,;7.97,.85,;9.28,1.65,;10.63,.91,;9.25,3.19,;7.89,3.93,;7.85,5.47,;6.58,3.13,;1.28,1.48,;-.03,.68,;-2.6,-3.99,;-3.95,-3.25,;-5.26,-4.04,;-3.98,-1.71,;-2.67,-.91,;-2.69,.63,;-4.05,1.37,;-5.37,.57,;-4.58,-.74,;-3.45,.42,;-5.33,-.97,;-6.66,-1.76,;-7.47,-2.96,;-6.08,-3.01,;-7.97,-.96,;-9.32,-1.7,;-10.63,-.9,;-10.59,.63,;-9.24,1.36,;-7.94,.57,;-6.59,1.3,)| Show InChI InChI=1S/C29H27Cl3N4O6S/c30-21-3-1-2-4-23(21)43(41,42)36-20-11-7-17(8-12-20)26(36)28(38)34-22(29(39)40)13-16-5-9-19(10-6-16)33-27(37)18-14-24(31)35-25(32)15-18/h1-6,9-10,14-15,17,20,22,26H,7-8,11-13H2,(H,33,37)(H,34,38)(H,39,40)/t17?,20?,22-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50144767 ((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1 Show InChI InChI=1S/C28H30Cl2N2O6S/c1-37-25-6-3-7-26(38-2)27(25)19-10-8-18(9-11-19)13-24(28(33)34)31-17-22-5-4-12-32(22)39(35,36)23-15-20(29)14-21(30)16-23/h3,6-11,14-16,22,24,31H,4-5,12-13,17H2,1-2H3,(H,33,34)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50117076 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[(2...) Show SMILES Cc1cc(c(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(O)=O)c(C)n1)C(F)(F)F Show InChI InChI=1S/C25H20Cl2F3N3O4/c1-12-10-16(25(28,29)30)20(13(2)31-12)22(34)33-19(24(36)37)11-14-6-8-15(9-7-14)32-23(35)21-17(26)4-3-5-18(21)27/h3-10,19H,11H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Alpha-mannosidase 2C1 (Rattus norvegicus)	BDBM50367914 (CHEMBL1794796) Show SMILES OC[C@@H](O)[C@H]1NC[C@@H](O)[C@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Division of Chemicals and Polymers Curated by ChEMBL					Assay Description Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis)				J Med Chem 32: 2084-9 (1989) BindingDB Entry DOI: 10.7270/Q2TQ6246
					More data for this Ligand-Target Pair
Alpha-mannosidase 2C1 (Rattus norvegicus)	BDBM50367915 (CHEMBL1794797) Show SMILES C[C@@H](O)[C@H]1NC[C@@H](O)[C@H]1O Show InChI InChI=1S/C6H13NO3/c1-3(8)5-6(10)4(9)2-7-5/h3-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Division of Chemicals and Polymers Curated by ChEMBL					Assay Description Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis)				J Med Chem 32: 2084-9 (1989) BindingDB Entry DOI: 10.7270/Q2TQ6246
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326776 (2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...) Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:15| Show InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-mannosidase 2C1 (Rattus norvegicus)	BDBM50016706 (CHEMBL63139 | Octahydro-indolizine-1,2,8-triol | S...) Show SMILES [H][C@@]12[C@H](O)[C@H](O)CN1CCC[C@H]2O Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6?,7-,8?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Division of Chemicals and Polymers Curated by ChEMBL					Assay Description Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis)				J Med Chem 32: 2084-9 (1989) BindingDB Entry DOI: 10.7270/Q2TQ6246
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50087592 ((S)-3-(4-Pentyloxy-phenyl)-2-[(pyridine-3-carbonyl...) Show SMILES CCCCCOc1ccc(C[C@H](NC(=O)c2cccnc2)C(O)=O)cc1 Show InChI InChI=1S/C20H24N2O4/c1-2-3-4-12-26-17-9-7-15(8-10-17)13-18(20(24)25)22-19(23)16-6-5-11-21-14-16/h5-11,14,18H,2-4,12-13H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50114294 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,...) Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C21H19Cl2N5O5/c1-32-20-26-19(27-21(28-20)33-2)25-15(18(30)31)10-11-6-8-12(9-7-11)24-17(29)16-13(22)4-3-5-14(16)23/h3-9,15H,10H2,1-2H3,(H,24,29)(H,30,31)(H,25,26,27,28)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423831 (CHEMBL1828840) Show SMILES OC(=O)[C@@H](CSSCCNC(=O)C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |r,TLB:10:12:15:19.18.17,22:23:26:30.29.28,THB:20:12:15:19.18.17,20:18:15:21.13.12,24:25:28:32.23.31,24:23:26.25.30:28,31:23:26:30.29.28,31:29:26:32.24.23,13:14:17:21.12.20,13:12:15.14.19:17| Show InChI InChI=1S/C26H40N2O3S2/c29-23(30)22(28-26-12-19-6-20(13-26)8-21(7-19)14-26)15-33-32-2-1-27-24(31)25-9-16-3-17(10-25)5-18(4-16)11-25/h16-22,28H,1-15H2,(H,27,31)(H,29,30)/t16?,17?,18?,19?,20?,21?,22-,25?,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ian Wark Laboratories Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta1 integrin				Bioorg Med Chem 19: 5903-11 (2011) Article DOI: 10.1016/j.bmc.2011.08.011 BindingDB Entry DOI: 10.7270/Q26111MP
					More data for this Ligand-Target Pair
Cadherin-2 (Homo sapiens (Human))	BDBM50339160 (CHEMBL1689350 | N-Ac-CHAVDC-NH2) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C26H39N9O9S2/c1-11(2)20-26(44)33-16(6-19(37)38)24(42)34-17(21(27)39)8-45-46-9-18(31-13(4)36)25(43)32-15(5-14-7-28-10-29-14)23(41)30-12(3)22(40)35-20/h7,10-12,15-18,20H,5-6,8-9H2,1-4H3,(H2,27,39)(H,28,29)(H,30,41)(H,31,36)(H,32,43)(H,33,44)(H,34,42)(H,35,40)(H,37,38)/t12-,15-,16-,17-,18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Materials Science and Engineering Curated by ChEMBL					Assay Description Antagonist activity at N-cadherin				J Med Chem 54: 1111-25 (2011) Article DOI: 10.1021/jm1012984 BindingDB Entry DOI: 10.7270/Q2QV3MT3
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326770 (4-isobutyl-5-methylene-2-oxo-1-(2,4,5-trichlorophe...) Show SMILES CC(C)CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl |c:4| Show InChI InChI=1S/C16H13Cl3N2O/c1-8(2)4-10-9(3)21(16(22)11(10)7-20)15-6-13(18)12(17)5-14(15)19/h5-6,8H,3-4H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326777 ((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...) Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:16| Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326767 (4-butyl-1-(2-tert-butyl-5-chlorophenyl)-5-methylen...) Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C(C)(C)C |c:4| Show InChI InChI=1S/C20H23ClN2O/c1-6-7-8-15-13(2)23(19(24)16(15)12-22)18-11-14(21)9-10-17(18)20(3,4)5/h9-11H,2,6-8H2,1,3-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326755 (1-(2,5-di-tert-butylphenyl)-4-methyl-5-methylene-2...) Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(ccc1C(C)(C)C)C(C)(C)C |c:1| Show InChI InChI=1S/C21H26N2O/c1-13-14(2)23(19(24)16(13)12-22)18-11-15(20(3,4)5)9-10-17(18)21(6,7)8/h9-11H,2H2,1,3-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326760 (4-ethyl-5-methylene-2-oxo-1-(2,4,5-trichlorophenyl...) Show SMILES CCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl |c:2| Show InChI InChI=1S/C14H9Cl3N2O/c1-3-8-7(2)19(14(20)9(8)6-18)13-5-11(16)10(15)4-12(13)17/h4-5H,2-3H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326765 (4-butyl-1-(3-chloro-2-methylphenyl)-5-methylene-2-...) Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cccc(Cl)c1C |c:4| Show InChI InChI=1S/C17H17ClN2O/c1-4-5-7-13-12(3)20(17(21)14(13)10-19)16-9-6-8-15(18)11(16)2/h6,8-9H,3-5,7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326758 (1-(4-tert-butyl-2,5-dichlorophenyl)-4-methyl-5-met...) Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(cc1Cl)C(C)(C)C |c:1| Show InChI InChI=1S/C17H16Cl2N2O/c1-9-10(2)21(16(22)11(9)8-20)15-7-13(18)12(6-14(15)19)17(3,4)5/h6-7H,2H2,1,3-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326759 (1-(2-tert-butyl-5-chlorophenyl)-4-ethyl-5-methylen...) Show SMILES CCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C(C)(C)C |c:2| Show InChI InChI=1S/C18H19ClN2O/c1-6-13-11(2)21(17(22)14(13)10-20)16-9-12(19)7-8-15(16)18(3,4)5/h7-9H,2,6H2,1,3-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326766 (4-butyl-1-(5-chloro-2-methylphenyl)-5-methylene-2-...) Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C |c:4| Show InChI InChI=1S/C17H17ClN2O/c1-4-5-6-14-12(3)20(17(21)15(14)10-19)16-9-13(18)8-7-11(16)2/h7-9H,3-6H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326773 (1-cyclohexyl-5-methylene-2-oxo-4-phenyl-2,5-dihydr...) Show SMILES C=C1N(C2CCCCC2)C(=O)C(C#N)=C1c1ccccc1 |c:14| Show InChI InChI=1S/C18H18N2O/c1-13-17(14-8-4-2-5-9-14)16(12-19)18(21)20(13)15-10-6-3-7-11-15/h2,4-5,8-9,15H,1,3,6-7,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326761 (1-(2-tert-butylphenyl)-4-isopropyl-5-methylene-2-o...) Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1ccccc1C(C)(C)C |c:3| Show InChI InChI=1S/C19H22N2O/c1-12(2)17-13(3)21(18(22)14(17)11-20)16-10-8-7-9-15(16)19(4,5)6/h7-10,12H,3H2,1-2,4-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326774 (3-benzoyl-4-methyl-5-methylene-1-(3-(trifluorometh...) Show SMILES CC1=C(C(=O)c2ccccc2)C(=O)N(C1=C)c1cccc(c1)C(F)(F)F |c:1| Show InChI InChI=1S/C20H14F3NO2/c1-12-13(2)24(16-10-6-9-15(11-16)20(21,22)23)19(26)17(12)18(25)14-7-4-3-5-8-14/h3-11H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326756 (1-(2,6-diisopropylphenyl)-4-methyl-5-methylene-2-o...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=C)C(C)=C(C#N)C1=O |t:17| Show InChI InChI=1S/C19H22N2O/c1-11(2)15-8-7-9-16(12(3)4)18(15)21-14(6)13(5)17(10-20)19(21)22/h7-9,11-12H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326757 (1-(3,5-dichlorophenyl)-4-methyl-5-methylene-2-oxo-...) Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)cc(Cl)c1 |c:1| Show InChI InChI=1S/C13H8Cl2N2O/c1-7-8(2)17(13(18)12(7)6-16)11-4-9(14)3-10(15)5-11/h3-5H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326769 (4-butyl-1-(2-ethyl-6-methylphenyl)-5-methylene-2-o...) Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1CC |c:4| Show InChI InChI=1S/C19H22N2O/c1-5-7-11-16-14(4)21(19(22)17(16)12-20)18-13(3)9-8-10-15(18)6-2/h8-10H,4-7,11H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326762 (1-(2-tert-butyl-4-chlorophenyl)-4-isopropyl-5-meth...) Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1ccc(Cl)cc1C(C)(C)C |c:3| Show InChI InChI=1S/C19H21ClN2O/c1-11(2)17-12(3)22(18(23)14(17)10-21)16-8-7-13(20)9-15(16)19(4,5)6/h7-9,11H,3H2,1-2,4-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326763 (4-isopropyl-1-(2-isopropyl-6-methylphenyl)-5-methy...) Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1C(C)C |c:3| Show InChI InChI=1S/C19H22N2O/c1-11(2)15-9-7-8-13(5)18(15)21-14(6)17(12(3)4)16(10-20)19(21)22/h7-9,11-12H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326754 (4-methyl-5-methylene-2-oxo-1-(2-(trifluoromethyl)p...) Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1ccccc1C(F)(F)F |c:1| Show InChI InChI=1S/C14H9F3N2O/c1-8-9(2)19(13(20)10(8)7-18)12-6-4-3-5-11(12)14(15,16)17/h3-6H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326772 (1-(2-isopropyl-6-methylphenyl)-5-methylene-2-oxo-4...) Show SMILES CC(C)c1cccc(C)c1N1C(=C)C(=C(C#N)C1=O)c1ccccc1 |t:14| Show InChI InChI=1S/C22H20N2O/c1-14(2)18-12-8-9-15(3)21(18)24-16(4)20(19(13-23)22(24)25)17-10-6-5-7-11-17/h5-12,14H,4H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326768 (4-butyl-1-(2-chloro-6-methylphenyl)-5-methylene-2-...) Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1Cl |c:4| Show InChI InChI=1S/C17H17ClN2O/c1-4-5-8-13-12(3)20(17(21)14(13)10-19)16-11(2)7-6-9-15(16)18/h6-7,9H,3-5,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Alpha-mannosidase 2C1 (Rattus norvegicus)	BDBM50016703 (2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Division of Chemicals and Polymers Curated by ChEMBL					Assay Description Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis)				J Med Chem 32: 2084-9 (1989) BindingDB Entry DOI: 10.7270/Q2TQ6246
					More data for this Ligand-Target Pair
Alpha-mannosidase 2C1 (Rattus norvegicus)	BDBM50403114 (CHEMBL1337303) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Division of Chemicals and Polymers Curated by ChEMBL					Assay Description Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis)				J Med Chem 32: 2084-9 (1989) BindingDB Entry DOI: 10.7270/Q2TQ6246
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326771 (4-isobutyl-1-mesityl-5-methylene-2-oxo-2,5-dihydro...) Show SMILES CC(C)CC1=C(C#N)C(=O)N(C1=C)c1c(C)cc(C)cc1C |c:4| Show InChI InChI=1S/C19H22N2O/c1-11(2)7-16-15(6)21(19(22)17(16)10-20)18-13(4)8-12(3)9-14(18)5/h8-9,11H,6-7H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326775 (CHEMBL1254537 | N,1-Bis(3-chlorophenyl)-4-methyl-5...) Show SMILES CC1=C(C(=O)Nc2cccc(Cl)c2)C(=O)N(C1=C)c1cccc(Cl)c1 |c:1| Show InChI InChI=1S/C19H14Cl2N2O2/c1-11-12(2)23(16-8-4-6-14(21)10-16)19(25)17(11)18(24)22-15-7-3-5-13(20)9-15/h3-10H,2H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair
Ecdysone receptor (Lucilia cuprina)	BDBM50326764 (1-(2,4-dichloro-6-methylphenyl)-4-isopropyl-5-meth...) Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1c(C)cc(Cl)cc1Cl |c:3| Show InChI InChI=1S/C16H14Cl2N2O/c1-8(2)14-10(4)20(16(21)12(14)7-19)15-9(3)5-11(17)6-13(15)18/h5-6,8H,4H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Molecular and Health Technologies Curated by ChEMBL					Assay Description Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem 18: 5647-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.020 BindingDB Entry DOI: 10.7270/Q2MK6D43
					More data for this Ligand-Target Pair

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