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 = 'BDBM50580862'
TargetC-type lectin domain family 4 member M(Homo sapiens)
Universit£ de Picardie Jules Verne

Curated by ChEMBL
LigandPNGBDBM50580862(CHEMBL5080461)
Show SMILES COC(=O)CNC(=O)CN(Cc1cn(CCCOc2c3cc(cc2sc2cc(cc(sc4cc(cc(sc5cc(cc(s3)c5OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn5cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn5)nn3)C(C)(C)C)c4OCCCn3cc(CN(CC(=O)NCC(=O)OC)C(=O)CCCCCn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)nn3)C(C)(C)C)c2OCCCn2cc(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)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/C144H208N32O44S4/c1-141(2,3)85-49-101-133(209-45-29-41-173-65-89(149-157-173)61-165(73-109(181)145-57-117(189)205-13)113(185)33-21-17-25-37-169-69-93(153-161-169)81-213-137-129(201)125(197)121(193)97(77-177)217-137)102(50-85)222-104-52-87(143(7,8)9)54-106(135(104)211-47-31-43-175-67-91(151-159-175)63-167(75-111(183)147-59-119(191)207-15)115(187)35-23-19-27-39-171-71-95(155-163-171)83-215-139-131(203)127(199)123(195)99(79-179)219-139)224-108-56-88(144(10,11)12)55-107(136(108)212-48-32-44-176-68-92(152-160-176)64-168(76-112(184)148-60-120(192)208-16)116(188)36-24-20-28-40-172-72-96(156-164-172)84-216-140-132(204)128(200)124(196)100(80-180)220-140)223-105-53-86(142(4,5)6)51-103(221-101)134(105)210-46-30-42-174-66-90(150-158-174)62-166(74-110(182)146-58-118(190)206-14)114(186)34-22-18-26-38-170-70-94(154-162-170)82-214-138-130(202)126(198)122(194)98(78-178)218-138/h49-56,65-72,97-100,121-132,137-140,177-180,193-204H,17-48,57-64,73-84H2,1-16H3,(H,145,181)(H,146,182)(H,147,183)(H,148,184)/t97-,98-,99-,100-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,137+,138+,139+,140+/m1/s1
Affinity DataIC50: 1.46E+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