BDBM50270818 (2S)-1-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{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}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-sulfanylbutanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic acid::CHEMBL499766

SMILES: CC(C)C[C@H](NC(=O)CNC(=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](CCS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=QHXJCRJQOLHTCU-PUBHSFPPSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50270818   

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))	BDBM50270818 ((2S)-1-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=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](CCS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:88.90,103.108,129.135,71.74,27.35,49.59,4.4,41.43,114.118,82.86,wD:60.70,16.24,45.47,107.111,(33,3.42,;33,1.87,;34.34,1.11,;31.67,1.11,;31.67,-.44,;30.33,-1.2,;29,-.43,;29,1.11,;27.67,-1.2,;26.34,-.43,;25.01,-1.21,;25.01,-2.75,;23.67,-.44,;22.34,-1.21,;21,-.44,;21,1.1,;19.68,-1.21,;19.68,-2.75,;21,-3.52,;22.33,-2.75,;23.67,-3.52,;23.67,-5.06,;22.34,-5.83,;21,-5.07,;18.34,-.44,;17.02,-1.23,;17.02,-2.76,;15.68,-.45,;15.68,1.09,;17.02,1.85,;18.43,1.23,;19.45,2.38,;18.67,3.71,;17.17,3.39,;14.33,-1.2,;13,-.44,;13,1.1,;11.66,-1.21,;10.33,-.44,;8.99,-1.21,;8.99,-2.75,;7.66,-.44,;6.32,-1.21,;4.99,-.44,;4.99,1.11,;3.66,-1.21,;2.33,-.44,;1,-1.22,;1,-2.76,;-.34,-.45,;-.34,1.09,;1,1.86,;2.34,1.08,;3.67,1.86,;3.67,3.4,;2.32,4.16,;1,3.39,;-1.67,-1.21,;-3.01,-.45,;-3.01,1.1,;-4.34,-1.22,;-4.34,-2.76,;-3.01,-3.53,;-3.01,-5.06,;-1.67,-5.83,;-1.66,-7.37,;-3.01,-8.14,;-.34,-8.14,;-5.66,-.43,;-6.98,-1.23,;-6.98,-2.77,;-8.31,-.46,;-9.66,-1.21,;-8.31,1.08,;-6.98,1.85,;-6.98,3.39,;-8.31,4.16,;-5.64,4.16,;3.66,-2.75,;5.21,-2.75,;2.12,-2.74,;3.66,-4.29,;7.66,1.11,;6.33,1.87,;8.99,1.88,;33,-1.21,;33,-2.75,;34.34,-.44,;35.67,-1.21,;37,-.44,;37,1.11,;35.68,1.87,;35.67,3.41,;37,4.18,;37,5.73,;38.34,3.42,;38.35,1.88,;35.67,-2.75,;34.34,-3.52,;37,-3.52,;38.57,-2.99,;39.6,-4.32,;38.65,-5.7,;37.25,-5.02,;36.02,-5.95,;34.6,-5.34,;36.2,-7.48,;34.98,-8.42,;33.56,-7.81,;32.33,-8.74,;30.9,-8.13,;35.16,-9.94,;36.58,-10.55,;33.92,-10.86,;34.11,-12.38,;35.53,-12.99,;35.71,-14.52,;34.48,-15.43,;37.13,-15.12,;32.88,-13.3,;31.46,-12.71,;33.06,-14.83,;31.83,-15.76,;32.02,-17.28,;33.44,-17.89,;30.79,-18.21,;30.68,-19.89,;29.06,-20.32,;28.15,-18.9,;29.32,-17.88,;28.94,-16.39,;27.45,-15.99,;30.02,-15.3,)| Show InChI InChI=1S/C85H122N24O22S2/c1-45(2)33-55(76(123)105-60(36-49-22-24-51(111)25-23-49)82(129)109-31-13-20-61(109)79(126)101-54(28-32-132)75(122)104-59(38-64(88)113)73(120)96-43-68(117)108-30-14-21-62(108)83(130)131)98-66(115)41-93-65(114)40-94-72(119)56(34-47-15-8-6-9-16-47)102-77(124)58(37-50-39-91-44-97-50)99-67(116)42-95-80(127)69(46(3)110)106-81(128)70(85(4,5)133)107-78(125)57(35-48-17-10-7-11-18-48)103-74(121)53(19-12-29-92-84(89)90)100-71(118)52(86)26-27-63(87)112/h6-11,15-18,22-25,39,44-46,52-62,69-70,110-111,132-133H,12-14,19-21,26-38,40-43,86H2,1-5H3,(H2,87,112)(H2,88,113)(H,91,97)(H,93,114)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,116)(H,100,118)(H,101,126)(H,102,124)(H,103,121)(H,104,122)(H,105,123)(H,106,128)(H,107,125)(H,130,131)(H4,89,90,92)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,69+,70-/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	n/a	310	n/a	n/a	n/a	6.0	n/a
Syntonix Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human FcRn at pH 6 by surface plasmon resonance assay				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
IgG receptor FcRn large subunit p51 (Homo sapiens (Human))	BDBM50270818 ((2S)-1-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=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](CCS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:88.90,103.108,129.135,71.74,27.35,49.59,4.4,41.43,114.118,82.86,wD:60.70,16.24,45.47,107.111,(33,3.42,;33,1.87,;34.34,1.11,;31.67,1.11,;31.67,-.44,;30.33,-1.2,;29,-.43,;29,1.11,;27.67,-1.2,;26.34,-.43,;25.01,-1.21,;25.01,-2.75,;23.67,-.44,;22.34,-1.21,;21,-.44,;21,1.1,;19.68,-1.21,;19.68,-2.75,;21,-3.52,;22.33,-2.75,;23.67,-3.52,;23.67,-5.06,;22.34,-5.83,;21,-5.07,;18.34,-.44,;17.02,-1.23,;17.02,-2.76,;15.68,-.45,;15.68,1.09,;17.02,1.85,;18.43,1.23,;19.45,2.38,;18.67,3.71,;17.17,3.39,;14.33,-1.2,;13,-.44,;13,1.1,;11.66,-1.21,;10.33,-.44,;8.99,-1.21,;8.99,-2.75,;7.66,-.44,;6.32,-1.21,;4.99,-.44,;4.99,1.11,;3.66,-1.21,;2.33,-.44,;1,-1.22,;1,-2.76,;-.34,-.45,;-.34,1.09,;1,1.86,;2.34,1.08,;3.67,1.86,;3.67,3.4,;2.32,4.16,;1,3.39,;-1.67,-1.21,;-3.01,-.45,;-3.01,1.1,;-4.34,-1.22,;-4.34,-2.76,;-3.01,-3.53,;-3.01,-5.06,;-1.67,-5.83,;-1.66,-7.37,;-3.01,-8.14,;-.34,-8.14,;-5.66,-.43,;-6.98,-1.23,;-6.98,-2.77,;-8.31,-.46,;-9.66,-1.21,;-8.31,1.08,;-6.98,1.85,;-6.98,3.39,;-8.31,4.16,;-5.64,4.16,;3.66,-2.75,;5.21,-2.75,;2.12,-2.74,;3.66,-4.29,;7.66,1.11,;6.33,1.87,;8.99,1.88,;33,-1.21,;33,-2.75,;34.34,-.44,;35.67,-1.21,;37,-.44,;37,1.11,;35.68,1.87,;35.67,3.41,;37,4.18,;37,5.73,;38.34,3.42,;38.35,1.88,;35.67,-2.75,;34.34,-3.52,;37,-3.52,;38.57,-2.99,;39.6,-4.32,;38.65,-5.7,;37.25,-5.02,;36.02,-5.95,;34.6,-5.34,;36.2,-7.48,;34.98,-8.42,;33.56,-7.81,;32.33,-8.74,;30.9,-8.13,;35.16,-9.94,;36.58,-10.55,;33.92,-10.86,;34.11,-12.38,;35.53,-12.99,;35.71,-14.52,;34.48,-15.43,;37.13,-15.12,;32.88,-13.3,;31.46,-12.71,;33.06,-14.83,;31.83,-15.76,;32.02,-17.28,;33.44,-17.89,;30.79,-18.21,;30.68,-19.89,;29.06,-20.32,;28.15,-18.9,;29.32,-17.88,;28.94,-16.39,;27.45,-15.99,;30.02,-15.3,)| Show InChI InChI=1S/C85H122N24O22S2/c1-45(2)33-55(76(123)105-60(36-49-22-24-51(111)25-23-49)82(129)109-31-13-20-61(109)79(126)101-54(28-32-132)75(122)104-59(38-64(88)113)73(120)96-43-68(117)108-30-14-21-62(108)83(130)131)98-66(115)41-93-65(114)40-94-72(119)56(34-47-15-8-6-9-16-47)102-77(124)58(37-50-39-91-44-97-50)99-67(116)42-95-80(127)69(46(3)110)106-81(128)70(85(4,5)133)107-78(125)57(35-48-17-10-7-11-18-48)103-74(121)53(19-12-29-92-84(89)90)100-71(118)52(86)26-27-63(87)112/h6-11,15-18,22-25,39,44-46,52-62,69-70,110-111,132-133H,12-14,19-21,26-38,40-43,86H2,1-5H3,(H2,87,112)(H2,88,113)(H,91,97)(H,93,114)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,116)(H,100,118)(H,101,126)(H,102,124)(H,103,121)(H,104,122)(H,105,123)(H,106,128)(H,107,125)(H,130,131)(H4,89,90,92)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,69+,70-/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	2.00E+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