Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'C-type lectin domain family 4 member M' and Ligand = 'BDBM50580863'
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50580863(CHEMBL5070715)
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](CO)[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](CO)[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](CO)[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](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C148H216N32O44/c1-145(2,3)97-53-89-49-91-55-98(146(4,5)6)57-93(138(91)214-46-30-42-178-70-102(154-162-178)66-170(78-114(186)150-62-122(194)210-14)118(190)34-22-18-26-38-174-74-106(158-166-174)86-218-142-134(206)130(202)126(198)110(82-182)222-142)51-95-59-100(148(10,11)12)60-96(140(95)216-48-32-44-180-72-104(156-164-180)68-172(80-116(188)152-64-124(196)212-16)120(192)36-24-20-28-40-176-76-108(160-168-176)88-220-144-136(208)132(204)128(200)112(84-184)224-144)52-94-58-99(147(7,8)9)56-92(139(94)215-47-31-43-179-71-103(155-163-179)67-171(79-115(187)151-63-123(195)211-15)119(191)35-23-19-27-39-175-75-107(159-167-175)87-219-143-135(207)131(203)127(199)111(83-183)223-143)50-90(54-97)137(89)213-45-29-41-177-69-101(153-161-177)65-169(77-113(185)149-61-121(193)209-13)117(189)33-21-17-25-37-173-73-105(157-165-173)85-217-141-133(205)129(201)125(197)109(81-181)221-141/h53-60,69-76,109-112,125-136,141-144,181-184,197-208H,17-52,61-68,77-88H2,1-16H3,(H,149,185)(H,150,186)(H,151,187)(H,152,188)/t109-,110-,111-,112-,125-,126-,127-,128-,129+,130+,131+,132+,133+,134+,135+,136+,141+,142+,143+,144+/m1/s1
Affinity DataIC50: 4.53E+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