Found 2 hits for monomerid = 50462098 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mannan-binding lectin serine protease 2
(Homo sapiens) | BDBM50462098
(CHEMBL4242955)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C155H250N46O54S6/c1-69(2)50-90(132(232)181-92(52-79-57-167-82-31-17-16-30-80(79)82)134(234)190-101(65-258)143(243)182-93(53-107(162)210)135(235)179-89(154(254)255)39-41-106(161)209)180-129(229)86(35-21-25-47-159)177-148(248)119(74(9)205)198-144(244)104(68-261)191-146(246)116(70(3)4)195-123(223)72(7)171-138(238)98(62-203)187-127(227)83(32-18-22-44-156)172-109(212)58-168-125(225)95(55-114(219)220)184-139(239)97(61-202)173-110(213)59-169-126(226)99(63-256)188-131(231)87(36-26-48-166-155(164)165)176-140(240)102(66-259)192-150(250)120(75(10)206)197-137(237)94(54-108(163)211)183-142(242)100(64-257)189-130(230)85(34-20-24-46-158)175-136(236)96(56-115(221)222)185-128(228)84(33-19-23-45-157)174-133(233)91(51-78-28-14-13-15-29-78)186-149(249)121(76(11)207)200-152(252)118(73(8)204)194-111(214)60-170-145(245)105-37-27-49-201(105)153(253)88(40-43-113(217)218)178-141(241)103(67-260)193-151(251)122(77(12)208)199-147(247)117(71(5)6)196-124(224)81(160)38-42-112(215)216/h13-17,28-31,57,69-77,81,83-105,116-122,167,202-208,256-261H,18-27,32-56,58-68,156-160H2,1-12H3,(H2,161,209)(H2,162,210)(H2,163,211)(H,168,225)(H,169,226)(H,170,245)(H,171,238)(H,172,212)(H,173,213)(H,174,233)(H,175,236)(H,176,240)(H,177,248)(H,178,241)(H,179,235)(H,180,229)(H,181,232)(H,182,243)(H,183,242)(H,184,239)(H,185,228)(H,186,249)(H,187,227)(H,188,231)(H,189,230)(H,190,234)(H,191,246)(H,192,250)(H,193,251)(H,194,214)(H,195,223)(H,196,224)(H,197,237)(H,198,244)(H,199,247)(H,200,252)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,254,255)(H4,164,165,166)/t72-,73+,74+,75+,76+,77+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-,119-,120-,121-,122-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of MASP2 (unknown origin)-induced lectin pathway by ELISA |
J Med Chem 61: 3253-3276 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9 |
More data for this
Ligand-Target Pair | |
Mannan-binding lectin serine protease 2
(Homo sapiens) | BDBM50462098
(CHEMBL4242955)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C155H250N46O54S6/c1-69(2)50-90(132(232)181-92(52-79-57-167-82-31-17-16-30-80(79)82)134(234)190-101(65-258)143(243)182-93(53-107(162)210)135(235)179-89(154(254)255)39-41-106(161)209)180-129(229)86(35-21-25-47-159)177-148(248)119(74(9)205)198-144(244)104(68-261)191-146(246)116(70(3)4)195-123(223)72(7)171-138(238)98(62-203)187-127(227)83(32-18-22-44-156)172-109(212)58-168-125(225)95(55-114(219)220)184-139(239)97(61-202)173-110(213)59-169-126(226)99(63-256)188-131(231)87(36-26-48-166-155(164)165)176-140(240)102(66-259)192-150(250)120(75(10)206)197-137(237)94(54-108(163)211)183-142(242)100(64-257)189-130(230)85(34-20-24-46-158)175-136(236)96(56-115(221)222)185-128(228)84(33-19-23-45-157)174-133(233)91(51-78-28-14-13-15-29-78)186-149(249)121(76(11)207)200-152(252)118(73(8)204)194-111(214)60-170-145(245)105-37-27-49-201(105)153(253)88(40-43-113(217)218)178-141(241)103(67-260)193-151(251)122(77(12)208)199-147(247)117(71(5)6)196-124(224)81(160)38-42-112(215)216/h13-17,28-31,57,69-77,81,83-105,116-122,167,202-208,256-261H,18-27,32-56,58-68,156-160H2,1-12H3,(H2,161,209)(H2,162,210)(H2,163,211)(H,168,225)(H,169,226)(H,170,245)(H,171,238)(H,172,212)(H,173,213)(H,174,233)(H,175,236)(H,176,240)(H,177,248)(H,178,241)(H,179,235)(H,180,229)(H,181,232)(H,182,243)(H,183,242)(H,184,239)(H,185,228)(H,186,249)(H,187,227)(H,188,231)(H,189,230)(H,190,234)(H,191,246)(H,192,250)(H,193,251)(H,194,214)(H,195,223)(H,196,224)(H,197,237)(H,198,244)(H,199,247)(H,200,252)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,254,255)(H4,164,165,166)/t72-,73+,74+,75+,76+,77+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-,119-,120-,121-,122-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CP1-CCP2-SP fragment of MASP-2 (unknown origin) |
J Med Chem 61: 3253-3276 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9 |
More data for this
Ligand-Target Pair | |
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