BDBM50270821 (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-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-sulfanylpropanoic acid::CHEMBL446284

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](N)CCCN=C(N)N)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)=O

InChI Key: InChIKey=JVCZECVFVOVCBB-VSRKBYBNSA-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 = 50270821   

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))	BDBM50270821 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...) 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](N)CCCN=C(N)N)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)=O |r,wU:79.81,94.99,27.35,49.59,41.43,4.4,73.77,wD:60.63,16.24,45.47,98.102,(30.11,-18.61,;30.11,-20.15,;31.45,-20.92,;28.79,-20.92,;28.79,-22.47,;27.46,-23.23,;26.12,-22.47,;26.12,-20.92,;24.79,-23.23,;23.45,-22.47,;22.12,-23.24,;22.12,-24.78,;20.78,-22.47,;19.45,-23.25,;18.12,-22.47,;18.12,-20.93,;16.79,-23.24,;16.79,-24.78,;18.12,-25.55,;19.43,-24.78,;20.77,-25.55,;20.78,-27.09,;19.44,-27.86,;18.12,-27.1,;15.45,-22.48,;14.11,-23.24,;14.11,-24.78,;12.77,-22.47,;12.77,-20.93,;14.11,-20.16,;15.52,-20.79,;16.55,-19.64,;15.77,-18.31,;14.26,-18.63,;11.43,-23.23,;10.1,-22.47,;10.1,-20.92,;8.77,-23.24,;7.44,-22.46,;6.1,-23.23,;6.1,-24.77,;4.77,-22.46,;3.43,-23.23,;2.1,-22.46,;2.1,-20.92,;.77,-23.23,;-.57,-22.46,;-1.9,-23.24,;-1.9,-24.77,;-3.24,-22.47,;-3.24,-20.92,;-1.9,-20.16,;-.57,-20.94,;.76,-20.16,;.76,-18.61,;-.58,-17.85,;-1.9,-18.63,;-4.58,-23.23,;-5.93,-22.48,;-5.93,-20.94,;-7.26,-23.25,;-8.58,-22.46,;-7.26,-24.79,;-5.93,-25.56,;-5.93,-27.1,;-4.58,-27.85,;-4.6,-29.39,;-5.92,-30.14,;-3.27,-30.17,;.77,-24.77,;2.31,-24.77,;-.78,-24.76,;.77,-26.31,;4.77,-20.92,;3.44,-20.15,;6.1,-20.15,;30.11,-23.23,;30.11,-24.77,;31.45,-22.47,;32.78,-23.23,;34.12,-22.47,;34.12,-20.92,;32.79,-20.16,;32.79,-18.62,;34.12,-17.85,;34.12,-16.31,;35.45,-18.61,;35.47,-20.14,;32.78,-24.77,;31.45,-25.55,;34.12,-25.55,;35.69,-25.01,;36.72,-26.35,;35.76,-27.73,;34.36,-27.05,;33.03,-27.82,;31.7,-27.06,;33.03,-29.36,;31.7,-30.14,;30.38,-29.37,;29.04,-30.15,;31.7,-31.68,;30.37,-32.45,;33.04,-32.44,)| Show InChI InChI=1S/C68H96N18O16S2/c1-37(2)26-45(59(94)82-49(29-41-20-22-43(88)23-21-41)65(100)86-25-13-19-51(86)62(97)83-50(35-103)66(101)102)78-53(90)33-74-52(89)32-75-58(93)46(27-39-14-8-6-9-15-39)81-60(95)48(30-42-31-72-36-77-42)79-54(91)34-76-63(98)55(38(3)87)84-64(99)56(68(4,5)104)85-61(96)47(28-40-16-10-7-11-17-40)80-57(92)44(69)18-12-24-73-67(70)71/h6-11,14-17,20-23,31,36-38,44-51,55-56,87-88,103-104H,12-13,18-19,24-30,32-35,69H2,1-5H3,(H,72,77)(H,74,89)(H,75,93)(H,76,98)(H,78,90)(H,79,91)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,99)(H,85,96)(H,101,102)(H4,70,71,73)/t38-,44+,45+,46+,47+,48+,49+,50+,51+,55+,56-/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	170	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))	BDBM50270821 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...) 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](N)CCCN=C(N)N)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)=O |r,wU:79.81,94.99,27.35,49.59,41.43,4.4,73.77,wD:60.63,16.24,45.47,98.102,(30.11,-18.61,;30.11,-20.15,;31.45,-20.92,;28.79,-20.92,;28.79,-22.47,;27.46,-23.23,;26.12,-22.47,;26.12,-20.92,;24.79,-23.23,;23.45,-22.47,;22.12,-23.24,;22.12,-24.78,;20.78,-22.47,;19.45,-23.25,;18.12,-22.47,;18.12,-20.93,;16.79,-23.24,;16.79,-24.78,;18.12,-25.55,;19.43,-24.78,;20.77,-25.55,;20.78,-27.09,;19.44,-27.86,;18.12,-27.1,;15.45,-22.48,;14.11,-23.24,;14.11,-24.78,;12.77,-22.47,;12.77,-20.93,;14.11,-20.16,;15.52,-20.79,;16.55,-19.64,;15.77,-18.31,;14.26,-18.63,;11.43,-23.23,;10.1,-22.47,;10.1,-20.92,;8.77,-23.24,;7.44,-22.46,;6.1,-23.23,;6.1,-24.77,;4.77,-22.46,;3.43,-23.23,;2.1,-22.46,;2.1,-20.92,;.77,-23.23,;-.57,-22.46,;-1.9,-23.24,;-1.9,-24.77,;-3.24,-22.47,;-3.24,-20.92,;-1.9,-20.16,;-.57,-20.94,;.76,-20.16,;.76,-18.61,;-.58,-17.85,;-1.9,-18.63,;-4.58,-23.23,;-5.93,-22.48,;-5.93,-20.94,;-7.26,-23.25,;-8.58,-22.46,;-7.26,-24.79,;-5.93,-25.56,;-5.93,-27.1,;-4.58,-27.85,;-4.6,-29.39,;-5.92,-30.14,;-3.27,-30.17,;.77,-24.77,;2.31,-24.77,;-.78,-24.76,;.77,-26.31,;4.77,-20.92,;3.44,-20.15,;6.1,-20.15,;30.11,-23.23,;30.11,-24.77,;31.45,-22.47,;32.78,-23.23,;34.12,-22.47,;34.12,-20.92,;32.79,-20.16,;32.79,-18.62,;34.12,-17.85,;34.12,-16.31,;35.45,-18.61,;35.47,-20.14,;32.78,-24.77,;31.45,-25.55,;34.12,-25.55,;35.69,-25.01,;36.72,-26.35,;35.76,-27.73,;34.36,-27.05,;33.03,-27.82,;31.7,-27.06,;33.03,-29.36,;31.7,-30.14,;30.38,-29.37,;29.04,-30.15,;31.7,-31.68,;30.37,-32.45,;33.04,-32.44,)| Show InChI InChI=1S/C68H96N18O16S2/c1-37(2)26-45(59(94)82-49(29-41-20-22-43(88)23-21-41)65(100)86-25-13-19-51(86)62(97)83-50(35-103)66(101)102)78-53(90)33-74-52(89)32-75-58(93)46(27-39-14-8-6-9-15-39)81-60(95)48(30-42-31-72-36-77-42)79-54(91)34-76-63(98)55(38(3)87)84-64(99)56(68(4,5)104)85-61(96)47(28-40-16-10-7-11-17-40)80-57(92)44(69)18-12-24-73-67(70)71/h6-11,14-17,20-23,31,36-38,44-51,55-56,87-88,103-104H,12-13,18-19,24-30,32-35,69H2,1-5H3,(H,72,77)(H,74,89)(H,75,93)(H,76,98)(H,78,90)(H,79,91)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,99)(H,85,96)(H,101,102)(H4,70,71,73)/t38-,44+,45+,46+,47+,48+,49+,50+,51+,55+,56-/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