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 = 'BDBM50580861'
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50580861(CHEMBL5079779)
Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C148H216N32O40/c1-89-125(193)129(197)133(201)141(217-89)213-85-109-77-173(165-157-109)41-29-21-25-37-117(185)169(81-113(181)149-65-121(189)205-17)69-105-73-177(161-153-105)45-33-49-209-137-93-53-95-59-102(146(8,9)10)61-97(138(95)210-50-34-46-178-74-106(154-162-178)70-170(82-114(182)150-66-122(190)206-18)118(186)38-26-22-30-42-174-78-110(158-166-174)86-214-142-134(202)130(198)126(194)90(2)218-142)55-99-63-104(148(14,15)16)64-100(140(99)212-52-36-48-180-76-108(156-164-180)72-172(84-116(184)152-68-124(192)208-20)120(188)40-28-24-32-44-176-80-112(160-168-176)88-216-144-136(204)132(200)128(196)92(4)220-144)56-98-62-103(147(11,12)13)60-96(54-94(137)58-101(57-93)145(5,6)7)139(98)211-51-35-47-179-75-107(155-163-179)71-171(83-115(183)151-67-123(191)207-19)119(187)39-27-23-31-43-175-79-111(159-167-175)87-215-143-135(203)131(199)127(195)91(3)219-143/h57-64,73-80,89-92,125-136,141-144,193-204H,21-56,65-72,81-88H2,1-20H3,(H,149,181)(H,150,182)(H,151,183)(H,152,184)/t89-,90-,91-,92-,125+,126+,127+,128+,129+,130+,131+,132+,133-,134-,135-,136-,141+,142+,143+,144+/m0/s1
Affinity DataIC50: 218nMAssay 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 InfoPC cidPC sid
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50580861(CHEMBL5079779)
Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C148H216N32O40/c1-89-125(193)129(197)133(201)141(217-89)213-85-109-77-173(165-157-109)41-29-21-25-37-117(185)169(81-113(181)149-65-121(189)205-17)69-105-73-177(161-153-105)45-33-49-209-137-93-53-95-59-102(146(8,9)10)61-97(138(95)210-50-34-46-178-74-106(154-162-178)70-170(82-114(182)150-66-122(190)206-18)118(186)38-26-22-30-42-174-78-110(158-166-174)86-214-142-134(202)130(198)126(194)90(2)218-142)55-99-63-104(148(14,15)16)64-100(140(99)212-52-36-48-180-76-108(156-164-180)72-172(84-116(184)152-68-124(192)208-20)120(188)40-28-24-32-44-176-80-112(160-168-176)88-216-144-136(204)132(200)128(196)92(4)220-144)56-98-62-103(147(11,12)13)60-96(54-94(137)58-101(57-93)145(5,6)7)139(98)211-51-35-47-179-75-107(155-163-179)71-171(83-115(183)151-67-123(191)207-19)119(187)39-27-23-31-43-175-79-111(159-167-175)87-215-143-135(203)131(199)127(195)91(3)219-143/h57-64,73-80,89-92,125-136,141-144,193-204H,21-56,65-72,81-88H2,1-20H3,(H,149,181)(H,150,182)(H,151,183)(H,152,184)/t89-,90-,91-,92-,125+,126+,127+,128+,129+,130+,131+,132+,133-,134-,135-,136-,141+,142+,143+,144+/m0/s1
Affinity DataIC50: 777nMAssay 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 InfoPC cidPC sid
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50580861(CHEMBL5079779)
Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn3)nn2)C(C)(C)C)c5OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)nn3)nn2)C(C)(C)C)c4OCCCn2cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn3cc(CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)nn2)C(C)(C)C)nn1)C(=O)CCCCCn1cc(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C148H216N32O40/c1-89-125(193)129(197)133(201)141(217-89)213-85-109-77-173(165-157-109)41-29-21-25-37-117(185)169(81-113(181)149-65-121(189)205-17)69-105-73-177(161-153-105)45-33-49-209-137-93-53-95-59-102(146(8,9)10)61-97(138(95)210-50-34-46-178-74-106(154-162-178)70-170(82-114(182)150-66-122(190)206-18)118(186)38-26-22-30-42-174-78-110(158-166-174)86-214-142-134(202)130(198)126(194)90(2)218-142)55-99-63-104(148(14,15)16)64-100(140(99)212-52-36-48-180-76-108(156-164-180)72-172(84-116(184)152-68-124(192)208-20)120(188)40-28-24-32-44-176-80-112(160-168-176)88-216-144-136(204)132(200)128(196)92(4)220-144)56-98-62-103(147(11,12)13)60-96(54-94(137)58-101(57-93)145(5,6)7)139(98)211-51-35-47-179-75-107(155-163-179)71-171(83-115(183)151-67-123(191)207-19)119(187)39-27-23-31-43-175-79-111(159-167-175)87-215-143-135(203)131(199)127(195)91(3)219-143/h57-64,73-80,89-92,125-136,141-144,193-204H,21-56,65-72,81-88H2,1-20H3,(H,149,181)(H,150,182)(H,151,183)(H,152,184)/t89-,90-,91-,92-,125+,126+,127+,128+,129+,130+,131+,132+,133-,134-,135-,136-,141+,142+,143+,144+/m0/s1
Affinity DataIC50: 2.65E+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 InfoPC cidPC sid