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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50314085'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50314085
PNG
(CHEMBL1090273)
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](CC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CSCCC(=O)NCCC(=O)NCCCN(C)CCCNC(=O)CCNC(=O)CCSCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(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](NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C190H269N51O49S2/c1-107(2)79-141-184(285)222-125(81-115-50-54-119(244)55-51-115)164(265)188(289)240-75-31-48-139(240)182(283)220-121(172(273)227-133(89-144(192)247)170(271)211-99-158(261)238-73-29-46-137(238)166(194)267)43-24-26-64-202-150(253)91-135(180(281)231-162(109(5)242)186(287)207-95-152(255)216-131(87-117-93-198-105-213-117)178(279)224-127(83-111-35-16-12-17-36-111)168(269)209-97-156(259)234(8)101-160(263)236(141)10)229-176(277)129(85-113-39-20-14-21-40-113)218-155(258)104-292-78-63-149(252)205-70-61-147(250)201-68-34-72-233(7)71-33-67-200-146(249)60-69-204-148(251)62-77-291-103-154(257)215-124(58-59-143(191)246)175(276)219-123(45-28-66-206-190(196)197)174(275)226-130(86-114-41-22-15-23-42-114)177(278)230-136-92-151(254)203-65-27-25-44-122(173(274)228-134(90-145(193)248)171(272)212-100-159(262)239-74-30-47-138(239)167(195)268)221-183(284)140-49-32-76-241(140)189(290)165(266)126(82-116-52-56-120(245)57-53-116)223-185(286)142(80-108(3)4)237(11)161(264)102-235(9)157(260)98-210-169(270)128(84-112-37-18-13-19-38-112)225-179(280)132(88-118-94-199-106-214-118)217-153(256)96-208-187(288)163(110(6)243)232-181(136)282/h12-23,35-42,50-57,93-94,105-110,121-142,162-163,242-245H,24-34,43-49,58-92,95-104H2,1-11H3,(H2,191,246)(H2,192,247)(H2,193,248)(H2,194,267)(H2,195,268)(H,198,213)(H,199,214)(H,200,249)(H,201,250)(H,202,253)(H,203,254)(H,204,251)(H,205,252)(H,207,287)(H,208,288)(H,209,269)(H,210,270)(H,211,271)(H,212,272)(H,215,257)(H,216,255)(H,217,256)(H,218,258)(H,219,276)(H,220,283)(H,221,284)(H,222,285)(H,223,286)(H,224,279)(H,225,280)(H,226,275)(H,227,273)(H,228,274)(H,229,277)(H,230,278)(H,231,281)(H,232,282)(H4,196,197,206)/t109-,110-,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,162+,163+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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Similars
Article
PubMed
n/an/a 2.40E+3n/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