Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50003175   

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
CD209 antigen (Homo sapiens (Human))	BDBM50467901 (CHEMBL4283127) Show SMILES [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](NC(=O)C[C@H](N)C(O)=O)[C@@H](O)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C58H98N2O48/c59-11(50(90)91)1-21(68)60-49-41(88)43(103-57-48(37(84)28(75)17(7-66)100-57)108-58-47(36(83)27(74)18(8-67)101-58)107-54-40(87)33(80)24(71)14(4-63)97-54)29(76)19(94-49)9-92-51-42(89)44(104-56-46(35(82)26(73)16(6-65)99-56)106-53-39(86)32(79)23(70)13(3-62)96-53)30(77)20(102-51)10-93-55-45(34(81)25(72)15(5-64)98-55)105-52-38(85)31(78)22(69)12(2-61)95-52/h11-20,22-49,51-58,61-67,69-89H,1-10,59H2,(H,60,68)(H,90,91)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-,52+,53+,54+,55-,56+,57+,58+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN carbohydrate binding domain (unknown origin) expressed in Escheric...				Bioorg Med Chem 26: 5368-5377 (2018) Article DOI: 10.1016/j.bmc.2018.08.036 BindingDB Entry DOI: 10.7270/Q26D5WQP
					More data for this Ligand-Target Pair
CD209 antigen (Homo sapiens (Human))	BDBM50467901 (CHEMBL4283127) Show SMILES [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](NC(=O)C[C@H](N)C(O)=O)[C@@H](O)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C58H98N2O48/c59-11(50(90)91)1-21(68)60-49-41(88)43(103-57-48(37(84)28(75)17(7-66)100-57)108-58-47(36(83)27(74)18(8-67)101-58)107-54-40(87)33(80)24(71)14(4-63)97-54)29(76)19(94-49)9-92-51-42(89)44(104-56-46(35(82)26(73)16(6-65)99-56)106-53-39(86)32(79)23(70)13(3-62)96-53)30(77)20(102-51)10-93-55-45(34(81)25(72)15(5-64)98-55)105-52-38(85)31(78)22(69)12(2-61)95-52/h11-20,22-49,51-58,61-67,69-89H,1-10,59H2,(H,60,68)(H,90,91)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-,52+,53+,54+,55-,56+,57+,58+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN extracellular domain (unknown origin) expressed in Escherichia col...				Bioorg Med Chem 26: 5368-5377 (2018) Article DOI: 10.1016/j.bmc.2018.08.036 BindingDB Entry DOI: 10.7270/Q26D5WQP
					More data for this Ligand-Target Pair
CD209 antigen (Homo sapiens (Human))	BDBM50467902 (CHEMBL4294737) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)\C=N\O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C38H61N11O17/c1-5-16(2)26(47-33(60)22(13-51)44-25(54)11-42-66-38-30(57)29(56)28(55)24(14-52)65-38)35(62)48-27(18(4)53)36(63)45-20(9-19-10-40-15-41-19)32(59)43-17(3)37(64)49-8-6-7-23(49)34(61)46-21(12-50)31(39)58/h10-11,15-18,20-24,26-30,38,50-53,55-57H,5-9,12-14H2,1-4H3,(H2,39,58)(H,40,41)(H,43,59)(H,44,54)(H,45,63)(H,46,61)(H,47,60)(H,48,62)/b42-11+/t16-,17-,18+,20-,21-,22-,23-,24+,26-,27-,28+,29-,30-,38+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN carbohydrate binding domain (unknown origin) expressed in Escheric...				Bioorg Med Chem 26: 5368-5377 (2018) Article DOI: 10.1016/j.bmc.2018.08.036 BindingDB Entry DOI: 10.7270/Q26D5WQP
					More data for this Ligand-Target Pair
CD209 antigen (Homo sapiens (Human))	BDBM50467900 (CHEMBL4281622) Show SMILES [H][C@]1(O[C@H]2[C@H](O)[C@@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)O[C@H](OCCCCCCN=[N+]=[N-])[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C24H43N3O16/c25-27-26-5-3-1-2-4-6-38-23-20(37)21(43-24-19(36)17(34)14(31)11(8-29)41-24)15(32)12(42-23)9-39-22-18(35)16(33)13(30)10(7-28)40-22/h10-24,28-37H,1-9H2/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN carbohydrate binding domain (unknown origin) expressed in Escheric...				Bioorg Med Chem 26: 5368-5377 (2018) Article DOI: 10.1016/j.bmc.2018.08.036 BindingDB Entry DOI: 10.7270/Q26D5WQP
					More data for this Ligand-Target Pair
CD209 antigen (Homo sapiens (Human))	BDBM50467903 (CHEBI:28729 | CHEMBL365590) Show SMILES OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN carbohydrate binding domain (unknown origin) expressed in Escheric...				Bioorg Med Chem 26: 5368-5377 (2018) Article DOI: 10.1016/j.bmc.2018.08.036 BindingDB Entry DOI: 10.7270/Q26D5WQP
					More data for this Ligand-Target Pair				3D Structure (crystal)