BDBM50270817 (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}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-methyl-3-sulfanylbutanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic ac::CHEMBL524659

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](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O)C(C)(C)S

InChI Key: InChIKey=RMPKUOUTELFGPQ-ADRXHIGYSA-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 = 50270817   

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))	BDBM50270817 ((2S)-1-{2-[(2S)-2-[(2R)-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](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O)C(C)(C)S |r,wU:88.90,103.108,126.132,71.74,27.35,49.59,4.4,41.43,111.115,82.86,wD:60.70,16.24,45.47,107.111,(33.06,-30.98,;33.06,-32.53,;34.4,-33.29,;31.73,-33.29,;31.73,-34.83,;30.39,-35.6,;29.06,-34.83,;29.06,-33.28,;27.73,-35.6,;26.4,-34.83,;25.07,-35.61,;25.07,-37.15,;23.73,-34.84,;22.4,-35.61,;21.06,-34.84,;21.06,-33.29,;19.73,-35.61,;19.73,-37.15,;21.06,-37.92,;22.39,-37.15,;23.72,-37.92,;23.73,-39.46,;22.4,-40.23,;21.06,-39.47,;18.4,-34.84,;17.07,-35.62,;17.07,-37.16,;15.74,-34.85,;15.74,-33.31,;17.07,-32.54,;18.48,-33.17,;19.51,-32.02,;18.73,-30.69,;17.23,-31.01,;14.39,-35.6,;13.05,-34.84,;13.05,-33.29,;11.72,-35.61,;10.39,-34.84,;9.05,-35.61,;9.05,-37.14,;7.72,-34.83,;6.38,-35.61,;5.05,-34.83,;5.05,-33.29,;3.72,-35.61,;2.39,-34.84,;1.06,-35.62,;1.06,-37.16,;-.28,-34.85,;-.28,-33.3,;1.06,-32.54,;2.4,-33.31,;3.73,-32.54,;3.73,-30.99,;2.38,-30.23,;1.06,-31.01,;-1.62,-35.61,;-2.95,-34.84,;-2.95,-33.3,;-4.28,-35.62,;-4.28,-37.15,;-2.95,-37.92,;-2.95,-39.46,;-1.61,-40.22,;-1.6,-41.76,;-2.95,-42.53,;-.28,-42.53,;-5.6,-34.83,;-6.92,-35.63,;-6.92,-37.17,;-8.25,-34.86,;-9.6,-35.6,;-8.25,-33.31,;-6.92,-32.55,;-6.92,-31.01,;-8.25,-30.24,;-5.58,-30.24,;3.72,-37.14,;5.27,-37.15,;2.18,-37.13,;3.72,-38.69,;7.72,-33.29,;6.39,-32.53,;9.05,-32.52,;33.06,-35.61,;33.06,-37.14,;34.4,-34.83,;35.72,-35.61,;37.06,-34.83,;37.06,-33.29,;35.73,-32.53,;35.73,-30.99,;37.06,-30.22,;37.06,-28.67,;38.4,-30.98,;38.41,-32.51,;35.72,-37.14,;34.4,-37.92,;37.06,-37.92,;38.63,-37.39,;39.66,-38.72,;38.71,-40.1,;37.31,-39.42,;36.08,-40.35,;34.66,-39.74,;36.26,-41.88,;35.04,-42.81,;35.22,-44.34,;36.63,-44.94,;33.98,-45.25,;34.17,-46.78,;35.59,-47.39,;35.77,-48.91,;34.54,-49.82,;37.19,-49.52,;32.94,-47.7,;31.52,-47.1,;33.12,-49.23,;31.89,-50.15,;32.08,-51.68,;33.5,-52.28,;30.85,-52.61,;30.74,-54.29,;29.12,-54.72,;28.21,-53.3,;29.38,-52.28,;29,-50.79,;27.51,-50.39,;30.08,-49.7,;33.62,-42.21,;34.13,-40.75,;33.13,-43.67,;32.12,-41.8,)| Show InChI InChI=1S/C86H124N24O22S2/c1-45(2)33-54(75(123)105-59(36-49-24-26-51(112)27-25-49)82(130)110-32-15-22-60(110)78(126)108-69(85(4,5)133)80(128)104-58(38-63(89)114)73(121)97-43-67(118)109-31-16-23-61(109)83(131)132)99-65(116)41-94-64(115)40-95-72(120)55(34-47-17-10-8-11-18-47)102-76(124)57(37-50-39-92-44-98-50)100-66(117)42-96-79(127)68(46(3)111)106-81(129)70(86(6,7)134)107-77(125)56(35-48-19-12-9-13-20-48)103-74(122)53(21-14-30-93-84(90)91)101-71(119)52(87)28-29-62(88)113/h8-13,17-20,24-27,39,44-46,52-61,68-70,111-112,133-134H,14-16,21-23,28-38,40-43,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,98)(H,94,115)(H,95,120)(H,96,127)(H,97,121)(H,99,116)(H,100,117)(H,101,119)(H,102,124)(H,103,122)(H,104,128)(H,105,123)(H,106,129)(H,107,125)(H,108,126)(H,131,132)(H4,90,91,93)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,68+,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	370	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))	BDBM50270817 ((2S)-1-{2-[(2S)-2-[(2R)-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](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O)C(C)(C)S |r,wU:88.90,103.108,126.132,71.74,27.35,49.59,4.4,41.43,111.115,82.86,wD:60.70,16.24,45.47,107.111,(33.06,-30.98,;33.06,-32.53,;34.4,-33.29,;31.73,-33.29,;31.73,-34.83,;30.39,-35.6,;29.06,-34.83,;29.06,-33.28,;27.73,-35.6,;26.4,-34.83,;25.07,-35.61,;25.07,-37.15,;23.73,-34.84,;22.4,-35.61,;21.06,-34.84,;21.06,-33.29,;19.73,-35.61,;19.73,-37.15,;21.06,-37.92,;22.39,-37.15,;23.72,-37.92,;23.73,-39.46,;22.4,-40.23,;21.06,-39.47,;18.4,-34.84,;17.07,-35.62,;17.07,-37.16,;15.74,-34.85,;15.74,-33.31,;17.07,-32.54,;18.48,-33.17,;19.51,-32.02,;18.73,-30.69,;17.23,-31.01,;14.39,-35.6,;13.05,-34.84,;13.05,-33.29,;11.72,-35.61,;10.39,-34.84,;9.05,-35.61,;9.05,-37.14,;7.72,-34.83,;6.38,-35.61,;5.05,-34.83,;5.05,-33.29,;3.72,-35.61,;2.39,-34.84,;1.06,-35.62,;1.06,-37.16,;-.28,-34.85,;-.28,-33.3,;1.06,-32.54,;2.4,-33.31,;3.73,-32.54,;3.73,-30.99,;2.38,-30.23,;1.06,-31.01,;-1.62,-35.61,;-2.95,-34.84,;-2.95,-33.3,;-4.28,-35.62,;-4.28,-37.15,;-2.95,-37.92,;-2.95,-39.46,;-1.61,-40.22,;-1.6,-41.76,;-2.95,-42.53,;-.28,-42.53,;-5.6,-34.83,;-6.92,-35.63,;-6.92,-37.17,;-8.25,-34.86,;-9.6,-35.6,;-8.25,-33.31,;-6.92,-32.55,;-6.92,-31.01,;-8.25,-30.24,;-5.58,-30.24,;3.72,-37.14,;5.27,-37.15,;2.18,-37.13,;3.72,-38.69,;7.72,-33.29,;6.39,-32.53,;9.05,-32.52,;33.06,-35.61,;33.06,-37.14,;34.4,-34.83,;35.72,-35.61,;37.06,-34.83,;37.06,-33.29,;35.73,-32.53,;35.73,-30.99,;37.06,-30.22,;37.06,-28.67,;38.4,-30.98,;38.41,-32.51,;35.72,-37.14,;34.4,-37.92,;37.06,-37.92,;38.63,-37.39,;39.66,-38.72,;38.71,-40.1,;37.31,-39.42,;36.08,-40.35,;34.66,-39.74,;36.26,-41.88,;35.04,-42.81,;35.22,-44.34,;36.63,-44.94,;33.98,-45.25,;34.17,-46.78,;35.59,-47.39,;35.77,-48.91,;34.54,-49.82,;37.19,-49.52,;32.94,-47.7,;31.52,-47.1,;33.12,-49.23,;31.89,-50.15,;32.08,-51.68,;33.5,-52.28,;30.85,-52.61,;30.74,-54.29,;29.12,-54.72,;28.21,-53.3,;29.38,-52.28,;29,-50.79,;27.51,-50.39,;30.08,-49.7,;33.62,-42.21,;34.13,-40.75,;33.13,-43.67,;32.12,-41.8,)| Show InChI InChI=1S/C86H124N24O22S2/c1-45(2)33-54(75(123)105-59(36-49-24-26-51(112)27-25-49)82(130)110-32-15-22-60(110)78(126)108-69(85(4,5)133)80(128)104-58(38-63(89)114)73(121)97-43-67(118)109-31-16-23-61(109)83(131)132)99-65(116)41-94-64(115)40-95-72(120)55(34-47-17-10-8-11-18-47)102-76(124)57(37-50-39-92-44-98-50)100-66(117)42-96-79(127)68(46(3)111)106-81(129)70(86(6,7)134)107-77(125)56(35-48-19-12-9-13-20-48)103-74(122)53(21-14-30-93-84(90)91)101-71(119)52(87)28-29-62(88)113/h8-13,17-20,24-27,39,44-46,52-61,68-70,111-112,133-134H,14-16,21-23,28-38,40-43,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,98)(H,94,115)(H,95,120)(H,96,127)(H,97,121)(H,99,116)(H,100,117)(H,101,119)(H,102,124)(H,103,122)(H,104,128)(H,105,123)(H,106,129)(H,107,125)(H,108,126)(H,131,132)(H4,90,91,93)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,68+,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