Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'C-type lectin domain family 4 member M' and Ligand = 'BDBM50509063'
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50509063(CHEMBL4515649)
Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1
Affinity DataIC50: 188nMAssay Description:Inhibition of full-length DC-SIGN (unknown origin) expressed in human monocyte derived dendritic cells assessed as inhibition of binding to recombina...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50509063(CHEMBL4515649)
Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1
Affinity DataIC50: 289nMAssay Description:Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 h...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50509063(CHEMBL4515649)
Show SMILES C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C128H188N28O32/c1-77-105(161)109(165)113(169)121(185-77)181-73-97-65-145(141-133-97)37-25-17-21-33-101(157)153(173)69-93-61-149(137-129-93)41-29-45-177-117-81-49-83-55-90(126(8,9)10)57-85(118(83)178-46-30-42-150-62-94(130-138-150)70-154(174)102(158)34-22-18-26-38-146-66-98(134-142-146)74-182-122-114(170)110(166)106(162)78(2)186-122)51-87-59-92(128(14,15)16)60-88(120(87)180-48-32-44-152-64-96(132-140-152)72-156(176)104(160)36-24-20-28-40-148-68-100(136-144-148)76-184-124-116(172)112(168)108(164)80(4)188-124)52-86-58-91(127(11,12)13)56-84(50-82(117)54-89(53-81)125(5,6)7)119(86)179-47-31-43-151-63-95(131-139-151)71-155(175)103(159)35-23-19-27-39-147-67-99(135-143-147)75-183-123-115(171)111(167)107(163)79(3)187-123/h53-68,77-80,105-116,121-124,161-176H,17-52,69-76H2,1-16H3/t77-,78-,79-,80-,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,121+,122+,123+,124+/m0/s1
Affinity DataIC50: 2.68E+4nMAssay Description:Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid