BindingDB logo
myBDB logout

BDBM50314098 (3R,8R,11S,17S,20S,29S,32S,38aS)-8-[(2S)-2-[(2S)-2-{2-[({[(1S)-1-{[(1S)-1-{[(3R,8R,11S,17S,20S,29S,32S,38aS)-20-benzyl-3-carbamoyl-11-[(1R)-1-hydroxyethyl]-32-[(4-hydroxyphenyl)methyl]-17-(1H-imidazol-4-ylmethyl)-7,7,25,28-tetramethyl-29-(2-methylpropyl)-1,9,12,15,18,21,24,27,30,33,34-undecaoxo-hexatriacontahydropyrrolo[2,1-g]1,2-dithia-5,8,12,15,18,21,24,27,30,33-decaazacyclohexatriacontan-8-yl]carbamoyl}-2-phenylethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)(methyl)amino]acetamido}-::CHEMBL1090636

SMILES: CC(C)C[C@@H]1N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CSSC2(C)C)C(N)=O)C(C)(C)SSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)[C@@H](C)O

InChI Key: InChIKey=FYNRYPLZXPBKDJ-MRJVFGEUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314098   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
IgG receptor FcRn large subunit p51


(Homo sapiens (Human))		BDBM50314098
PNG
((3R,8R,11S,17S,20S,29S,32S,38aS)-8-[(2S)-2-[(2S)-2...)
Show SMILES CC(C)C[C@@H]1N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CSSC2(C)C)C(N)=O)C(C)(C)SSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C147H203N39O34S4/c1-80(2)56-108-136(213)168-96(58-88-44-48-92(189)49-45-88)120(199)142(219)185-54-30-42-106(185)134(211)174-104(124(148)201)76-221-223-146(7,8)122(140(217)176-118(82(5)187)138(215)158-68-110(191)166-102(64-90-66-154-78-162-90)130(207)170-98(60-84-32-20-16-21-33-84)126(203)160-70-114(195)181(12)74-116(197)183(108)14)178-132(209)100(62-86-36-24-18-25-37-86)172-128(205)94(40-28-52-156-144(150)151)164-112(193)72-180(11)73-113(194)165-95(41-29-53-157-145(152)153)129(206)173-101(63-87-38-26-19-27-39-87)133(210)179-123-141(218)177-119(83(6)188)139(216)159-69-111(192)167-103(65-91-67-155-79-163-91)131(208)171-99(61-85-34-22-17-23-35-85)127(204)161-71-115(196)182(13)75-117(198)184(15)109(57-81(3)4)137(214)169-97(59-89-46-50-93(190)51-47-89)121(200)143(220)186-55-31-43-107(186)135(212)175-105(125(149)202)77-222-224-147(123,9)10/h16-27,32-39,44-51,66-67,78-83,94-109,118-119,122-123,187-190H,28-31,40-43,52-65,68-77H2,1-15H3,(H2,148,201)(H2,149,202)(H,154,162)(H,155,163)(H,158,215)(H,159,216)(H,160,203)(H,161,204)(H,164,193)(H,165,194)(H,166,191)(H,167,192)(H,168,213)(H,169,214)(H,170,207)(H,171,208)(H,172,205)(H,173,206)(H,174,211)(H,175,212)(H,176,217)(H,177,218)(H,178,209)(H,179,210)(H4,150,151,156)(H4,152,153,157)/t82-,83-,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,118+,119+,122-,123-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Syntonix Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IgG binding to soluble human FcRn after 5 hrs by competition ELISA

J Med Chem 53: 1587-96 (2010)


Article DOI: 10.1021/jm901128z
BindingDB Entry DOI: 10.7270/Q23R0T1H
More data for this
Ligand-Target Pair