BDBM50270990 (2S)-1-{2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3R)-3-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-methyl-3-sulfanylbutanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]acetamido}pyrrolidin-1-yl]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic::CHEMBL525263

SMILES: CC(C)C[C@H](N1CC[C@H](C1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=TXPBKTGAPCSSJN-ZTRGSPMTSA-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 = 50270990   

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))	BDBM50270990 ((2S)-1-{2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2...) Show SMILES CC(C)C[C@H](N1CC[C@H](C1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:114.119,89.92,104.110,72.76,28.37,50.61,42.45,83.88,129.136,wD:108.113,61.72,17.26,46.49,8.10,4.4,(28.29,-35.64,;29.19,-34.39,;28.55,-32.98,;30.72,-34.54,;31.61,-33.28,;30.98,-31.88,;31.74,-30.54,;30.7,-29.41,;29.3,-30.05,;29.47,-31.57,;27.96,-29.29,;26.63,-30.07,;26.63,-31.6,;25.29,-29.29,;23.96,-30.06,;22.62,-29.29,;22.62,-27.75,;21.3,-30.07,;21.3,-31.6,;22.62,-32.38,;23.95,-31.61,;25.29,-32.38,;25.29,-33.91,;23.96,-34.69,;22.62,-33.93,;19.96,-29.3,;18.64,-30.08,;18.64,-31.62,;17.3,-29.31,;17.3,-27.76,;18.64,-27,;20.05,-27.62,;21.07,-26.47,;20.29,-25.14,;18.79,-25.47,;15.95,-30.06,;14.62,-29.29,;14.62,-27.75,;13.28,-30.07,;11.95,-29.29,;10.61,-30.06,;10.61,-31.6,;9.28,-29.29,;7.94,-30.06,;6.61,-29.29,;6.61,-27.75,;5.28,-30.06,;3.95,-29.29,;2.62,-30.08,;2.62,-31.61,;1.28,-29.3,;1.28,-27.76,;2.62,-27,;3.96,-27.77,;5.29,-27,;5.29,-25.45,;3.94,-24.69,;2.62,-25.46,;-.05,-30.07,;-1.39,-29.3,;-1.39,-27.75,;-2.72,-30.07,;-2.72,-31.61,;-1.39,-32.38,;-1.39,-33.92,;-.05,-34.68,;-.04,-36.22,;-1.39,-36.99,;1.28,-36.99,;-4.04,-29.29,;-5.36,-30.09,;-5.36,-31.62,;-6.69,-29.31,;-8.04,-30.06,;-6.69,-27.77,;-5.36,-27.01,;-5.36,-25.46,;-6.69,-24.69,;-4.02,-24.7,;5.28,-31.6,;6.83,-31.61,;3.74,-31.59,;5.28,-33.14,;9.28,-27.75,;7.95,-26.98,;10.61,-26.98,;33.15,-33.44,;34.04,-32.18,;33.79,-34.84,;35.12,-35.61,;36.45,-34.84,;36.45,-33.29,;35.13,-32.53,;35.12,-30.99,;36.45,-30.22,;36.45,-28.67,;37.79,-30.98,;37.8,-32.52,;35.12,-37.14,;33.79,-37.92,;36.45,-37.92,;38.02,-37.39,;39.05,-38.72,;38.1,-40.1,;36.7,-39.42,;35.47,-40.35,;34.06,-39.74,;35.65,-41.88,;34.43,-42.81,;33.01,-42.21,;31.78,-43.14,;34.61,-44.34,;36.03,-44.95,;33.37,-45.25,;33.56,-46.78,;34.98,-47.39,;35.16,-48.91,;33.93,-49.83,;36.58,-49.52,;32.33,-47.7,;30.91,-47.11,;32.51,-49.23,;31.28,-50.15,;31.47,-51.68,;32.89,-52.29,;30.24,-52.61,;30.13,-54.29,;28.51,-54.72,;27.61,-53.3,;28.77,-52.28,;28.39,-50.79,;26.9,-50.39,;29.47,-49.7,)| Show InChI InChI=1S/C86H124N24O21S2/c1-46(2)33-64(80(126)104-60(36-50-22-24-53(112)25-23-50)83(129)110-31-13-20-62(110)79(125)105-61(44-132)78(124)103-59(38-66(89)114)74(120)96-42-69(117)109-30-14-21-63(109)84(130)131)108-32-28-51(43-108)98-67(115)40-94-73(119)56(34-48-15-8-6-9-16-48)101-76(122)58(37-52-39-92-45-97-52)99-68(116)41-95-81(127)70(47(3)111)106-82(128)71(86(4,5)133)107-77(123)57(35-49-17-10-7-11-18-49)102-75(121)55(19-12-29-93-85(90)91)100-72(118)54(87)26-27-65(88)113/h6-11,15-18,22-25,39,45-47,51,54-64,70-71,111-112,132-133H,12-14,19-21,26-38,40-44,87H2,1-5H3,(H2,88,113)(H2,89,114)(H,92,97)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,116)(H,100,118)(H,101,122)(H,102,121)(H,103,124)(H,104,126)(H,105,125)(H,106,128)(H,107,123)(H,130,131)(H4,90,91,93)/t47-,51-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,70+,71-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntonix Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human IgG binding to soluble human FcRn by ELISA				Bioorg Med Chem 16: 6394-405 (2008) Article DOI: 10.1016/j.bmc.2008.05.004 BindingDB Entry DOI: 10.7270/Q2QV3M9C
					More data for this Ligand-Target Pair