BDBM50314094 CHEMBL1090632::N1-((S)-1-((S)-1-((3R,8R,11S,17S,20S,29S,32S,38aS)-17-((1H-imidazol-4-yl)methyl)-20-benzyl-3-carbamoyl-32-(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-29-isobutyl-7,7,25,28-tetramethyl-1,9,12,15,18,21,24,27,30,33,34-undecaoxohexatriacontahydropyrrolo[2,1-g][1,2,5,8,12,15,18,21,24,27,30,33]dithiadecaazacyclohexatriacontin-8-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentan-2-yl)-N4-((S)-6-((S)-1-((3R,8R,11S,17S,20S,29S,32S,38aS)-17-((1H-imidazol-4-yl)methyl)-20-benzyl-3-carbamoyl-32-(

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)CCNC(=O)CCNC(=O)CCNC(=O)CN(C)CCNC(=O)CCC(=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=CWOOKRFILFLASV-MTGNCUGXSA-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 = 50314094   

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
IgG receptor FcRn large subunit p51 (Homo sapiens (Human))	BDBM50314094 (CHEMBL1090632 | N1-((S)-1-((S)-1-((3R,8R,11S,17S,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)CCNC(=O)CCNC(=O)CCNC(=O)CN(C)CCNC(=O)CCC(=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/C160H225N43O38S4/c1-89(2)66-117-149(234)185-105(68-97-44-48-101(206)49-45-97)133(220)155(240)202-63-30-42-115(202)147(232)191-113(137(161)222)85-242-244-159(7,8)135(153(238)193-131(91(5)204)151(236)175-78-124(213)183-111(74-99-76-167-87-179-99)143(228)187-107(70-93-32-20-16-21-33-93)139(224)177-80-127(216)198(12)83-129(218)200(117)14)195-145(230)109(72-95-36-24-18-25-37-95)189-141(226)103(40-28-57-173-157(163)164)181-122(211)53-52-119(208)172-62-65-197(11)82-126(215)171-60-55-121(210)169-59-54-120(209)170-61-56-123(212)182-104(41-29-58-174-158(165)166)142(227)190-110(73-96-38-26-19-27-39-96)146(231)196-136-154(239)194-132(92(6)205)152(237)176-79-125(214)184-112(75-100-77-168-88-180-100)144(229)188-108(71-94-34-22-17-23-35-94)140(225)178-81-128(217)199(13)84-130(219)201(15)118(67-90(3)4)150(235)186-106(69-98-46-50-102(207)51-47-98)134(221)156(241)203-64-31-43-116(203)148(233)192-114(138(162)223)86-243-245-160(136,9)10/h16-27,32-39,44-51,76-77,87-92,103-118,131-132,135-136,204-207H,28-31,40-43,52-75,78-86H2,1-15H3,(H2,161,222)(H2,162,223)(H,167,179)(H,168,180)(H,169,210)(H,170,209)(H,171,215)(H,172,208)(H,175,236)(H,176,237)(H,177,224)(H,178,225)(H,181,211)(H,182,212)(H,183,213)(H,184,214)(H,185,234)(H,186,235)(H,187,228)(H,188,229)(H,189,226)(H,190,227)(H,191,232)(H,192,233)(H,193,238)(H,194,239)(H,195,230)(H,196,231)(H4,163,164,173)(H4,165,166,174)/t91-,92-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,131+,132+,135-,136-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/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
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