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 = 'BDBM50509061'
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50509061(CHEMBL4554703)
Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C
Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1
Affinity DataIC50: 156nMAssay 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
LigandPNGBDBM50509061(CHEMBL4554703)
Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C
Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1
Affinity DataIC50: 634nMAssay 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
LigandPNGBDBM50509061(CHEMBL4554703)
Show SMILES CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C
Show InChI InChI=1S/C128H188N28O36/c1-125(2,3)85-49-77-45-79-51-86(126(4,5)6)53-81(118(79)182-42-26-38-150-58-90(130-138-150)66-154(178)102(162)30-18-14-22-34-146-62-94(134-142-146)74-186-122-114(174)110(170)106(166)98(70-158)190-122)47-83-55-88(128(10,11)12)56-84(120(83)184-44-28-40-152-60-92(132-140-152)68-156(180)104(164)32-20-16-24-36-148-64-96(136-144-148)76-188-124-116(176)112(172)108(168)100(72-160)192-124)48-82-54-87(127(7,8)9)52-80(119(82)183-43-27-39-151-59-91(131-139-151)67-155(179)103(163)31-19-15-23-35-147-63-95(135-143-147)75-187-123-115(175)111(171)107(167)99(71-159)191-123)46-78(50-85)117(77)181-41-25-37-149-57-89(129-137-149)65-153(177)101(161)29-17-13-21-33-145-61-93(133-141-145)73-185-121-113(173)109(169)105(165)97(69-157)189-121/h49-64,97-100,105-116,121-124,157-160,165-180H,13-48,65-76H2,1-12H3/t97-,98-,99-,100-,105-,106-,107-,108-,109+,110+,111+,112+,113+,114+,115+,116+,121+,122+,123+,124+/m1/s1
Affinity DataIC50: 3.75E+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