BDBM50270844 (2S)-1-{2-[(2S)-2-[(2R)-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}-2-methylpropanamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic::CHEMBL504266

SMILES: CC(C)C[C@H](NC(=O)C(C)(C)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=IBXUOXAWRBNUSK-OJSMXDMESA-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 = 50270844   

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))	BDBM50270844 ((2S)-1-{2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2...) Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)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:73.76,51.61,43.45,84.88,29.37,4.4,90.92,105.110,115.119,130.136,wD:62.72,47.49,18.26,109.113,(36.75,-4.43,;35.4,-5.16,;35.36,-6.7,;34.09,-4.36,;32.74,-5.09,;31.42,-4.28,;31.46,-2.74,;32.82,-2.01,;30.16,-1.94,;30.94,-.62,;29.37,-3.27,;28.82,-1.17,;27.49,-1.94,;27.49,-3.48,;26.15,-1.17,;24.82,-1.94,;23.48,-1.17,;23.48,.37,;22.16,-1.94,;22.16,-3.48,;23.48,-4.25,;24.81,-3.48,;26.14,-4.25,;26.15,-5.78,;24.82,-6.56,;23.48,-5.8,;20.82,-1.17,;19.48,-1.94,;19.48,-3.48,;18.16,-1.17,;18.16,.37,;19.48,1.14,;20.9,.51,;21.92,1.66,;21.14,2.99,;19.65,2.66,;16.82,-1.94,;15.48,-1.17,;15.48,.37,;14.15,-1.94,;12.82,-1.17,;11.48,-1.94,;11.48,-3.48,;10.15,-1.17,;8.82,-1.94,;7.48,-1.17,;7.48,.37,;6.15,-1.94,;4.82,-1.17,;3.48,-1.94,;3.48,-3.48,;2.15,-1.17,;2.15,.37,;3.48,1.14,;4.83,.37,;6.15,1.14,;6.14,2.68,;4.81,3.44,;3.48,2.66,;.81,-1.94,;-.52,-1.17,;-.52,.37,;-1.85,-1.94,;-1.85,-3.48,;-.52,-4.25,;-.52,-5.79,;.81,-6.56,;.81,-8.1,;-.52,-8.87,;2.15,-8.87,;-3.19,-1.17,;-4.52,-1.94,;-4.52,-3.48,;-5.85,-1.17,;-7.19,-1.94,;-5.85,.37,;-4.52,1.14,;-4.52,2.68,;-5.85,3.45,;-3.19,3.45,;6.15,-3.48,;7.69,-3.48,;4.61,-3.48,;6.15,-5.02,;10.15,.37,;8.82,1.14,;11.48,1.14,;32.69,-6.63,;31.34,-7.36,;34,-7.44,;33.96,-8.98,;35.27,-9.78,;36.63,-9.05,;36.67,-7.53,;38.02,-6.79,;39.33,-7.59,;40.69,-6.85,;39.3,-9.12,;37.95,-9.86,;32.61,-9.71,;31.3,-8.9,;32.56,-11.25,;33.77,-12.37,;33.09,-13.91,;31.43,-13.73,;31.36,-12.18,;29.96,-11.54,;29.81,-10.01,;28.71,-12.43,;27.31,-11.79,;27.16,-10.26,;25.76,-9.61,;26.05,-12.68,;26.19,-14.21,;24.65,-12.04,;23.4,-12.93,;23.54,-14.46,;22.28,-15.35,;20.88,-14.71,;22.43,-16.89,;21.99,-12.28,;21.85,-10.75,;20.74,-13.18,;19.34,-12.54,;18.08,-13.42,;18.23,-14.95,;16.68,-12.78,;15.16,-13.48,;14.01,-12.27,;14.82,-10.8,;16.27,-11.33,;17.4,-10.29,;17.04,-8.79,;18.88,-10.73,)| Show InChI InChI=1S/C86H124N24O22S2/c1-45(2)33-54(74(122)103-59(36-49-24-26-51(112)27-25-49)81(129)110-32-15-22-61(110)78(126)104-60(43-133)77(125)102-58(38-64(89)114)72(120)96-42-67(117)109-31-16-23-62(109)82(130)131)105-83(132)85(4,5)108-66(116)41-94-71(119)55(34-47-17-10-8-11-18-47)100-75(123)57(37-50-39-92-44-97-50)98-65(115)40-95-79(127)68(46(3)111)106-80(128)69(86(6,7)134)107-76(124)56(35-48-19-12-9-13-20-48)101-73(121)53(21-14-30-93-84(90)91)99-70(118)52(87)28-29-63(88)113/h8-13,17-20,24-27,39,44-46,52-62,68-69,111-112,133-134H,14-16,21-23,28-38,40-43,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,97)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,118)(H,100,123)(H,101,121)(H,102,125)(H,103,122)(H,104,126)(H,105,132)(H,106,128)(H,107,124)(H,108,116)(H,130,131)(H4,90,91,93)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,68+,69-/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	2.40E+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
IgG receptor FcRn large subunit p51 (Homo sapiens (Human))	BDBM50270844 ((2S)-1-{2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2...) Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)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:73.76,51.61,43.45,84.88,29.37,4.4,90.92,105.110,115.119,130.136,wD:62.72,47.49,18.26,109.113,(36.75,-4.43,;35.4,-5.16,;35.36,-6.7,;34.09,-4.36,;32.74,-5.09,;31.42,-4.28,;31.46,-2.74,;32.82,-2.01,;30.16,-1.94,;30.94,-.62,;29.37,-3.27,;28.82,-1.17,;27.49,-1.94,;27.49,-3.48,;26.15,-1.17,;24.82,-1.94,;23.48,-1.17,;23.48,.37,;22.16,-1.94,;22.16,-3.48,;23.48,-4.25,;24.81,-3.48,;26.14,-4.25,;26.15,-5.78,;24.82,-6.56,;23.48,-5.8,;20.82,-1.17,;19.48,-1.94,;19.48,-3.48,;18.16,-1.17,;18.16,.37,;19.48,1.14,;20.9,.51,;21.92,1.66,;21.14,2.99,;19.65,2.66,;16.82,-1.94,;15.48,-1.17,;15.48,.37,;14.15,-1.94,;12.82,-1.17,;11.48,-1.94,;11.48,-3.48,;10.15,-1.17,;8.82,-1.94,;7.48,-1.17,;7.48,.37,;6.15,-1.94,;4.82,-1.17,;3.48,-1.94,;3.48,-3.48,;2.15,-1.17,;2.15,.37,;3.48,1.14,;4.83,.37,;6.15,1.14,;6.14,2.68,;4.81,3.44,;3.48,2.66,;.81,-1.94,;-.52,-1.17,;-.52,.37,;-1.85,-1.94,;-1.85,-3.48,;-.52,-4.25,;-.52,-5.79,;.81,-6.56,;.81,-8.1,;-.52,-8.87,;2.15,-8.87,;-3.19,-1.17,;-4.52,-1.94,;-4.52,-3.48,;-5.85,-1.17,;-7.19,-1.94,;-5.85,.37,;-4.52,1.14,;-4.52,2.68,;-5.85,3.45,;-3.19,3.45,;6.15,-3.48,;7.69,-3.48,;4.61,-3.48,;6.15,-5.02,;10.15,.37,;8.82,1.14,;11.48,1.14,;32.69,-6.63,;31.34,-7.36,;34,-7.44,;33.96,-8.98,;35.27,-9.78,;36.63,-9.05,;36.67,-7.53,;38.02,-6.79,;39.33,-7.59,;40.69,-6.85,;39.3,-9.12,;37.95,-9.86,;32.61,-9.71,;31.3,-8.9,;32.56,-11.25,;33.77,-12.37,;33.09,-13.91,;31.43,-13.73,;31.36,-12.18,;29.96,-11.54,;29.81,-10.01,;28.71,-12.43,;27.31,-11.79,;27.16,-10.26,;25.76,-9.61,;26.05,-12.68,;26.19,-14.21,;24.65,-12.04,;23.4,-12.93,;23.54,-14.46,;22.28,-15.35,;20.88,-14.71,;22.43,-16.89,;21.99,-12.28,;21.85,-10.75,;20.74,-13.18,;19.34,-12.54,;18.08,-13.42,;18.23,-14.95,;16.68,-12.78,;15.16,-13.48,;14.01,-12.27,;14.82,-10.8,;16.27,-11.33,;17.4,-10.29,;17.04,-8.79,;18.88,-10.73,)| Show InChI InChI=1S/C86H124N24O22S2/c1-45(2)33-54(74(122)103-59(36-49-24-26-51(112)27-25-49)81(129)110-32-15-22-61(110)78(126)104-60(43-133)77(125)102-58(38-64(89)114)72(120)96-42-67(117)109-31-16-23-62(109)82(130)131)105-83(132)85(4,5)108-66(116)41-94-71(119)55(34-47-17-10-8-11-18-47)100-75(123)57(37-50-39-92-44-97-50)98-65(115)40-95-79(127)68(46(3)111)106-80(128)69(86(6,7)134)107-76(124)56(35-48-19-12-9-13-20-48)101-73(121)53(21-14-30-93-84(90)91)99-70(118)52(87)28-29-63(88)113/h8-13,17-20,24-27,39,44-46,52-62,68-69,111-112,133-134H,14-16,21-23,28-38,40-43,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,97)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,118)(H,100,123)(H,101,121)(H,102,125)(H,103,122)(H,104,126)(H,105,132)(H,106,128)(H,107,124)(H,108,116)(H,130,131)(H4,90,91,93)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,68+,69-/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	n/a	480	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