BDBM50270961 (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-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]-2-oxoazepan-1-yl]acetamido}-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid::CHEMBL486090

SMILES: CC(C)C[C@H](NC(=O)CN1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C1=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=WYKYRXRDTYKWKS-MDOMHRAVSA-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 = 50270961   

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))	BDBM50270961 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2...) Show SMILES CC(C)C[C@H](NC(=O)CN1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C1=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:102.107,83.86,14.14,62.65,18.26,98.104,wD:4.4,43.45,75.79,29.37,51.61,47.49,(27.04,-22.59,;27.04,-21.07,;28.37,-20.3,;25.72,-20.3,;25.72,-18.76,;24.52,-17.88,;23.29,-18.81,;23.23,-20.35,;21.87,-18.22,;20.65,-19.15,;20.97,-20.66,;19.98,-21.84,;18.43,-21.82,;17.5,-20.59,;17.87,-19.1,;16.69,-18.11,;15.34,-18.84,;15.34,-20.39,;14.05,-17.98,;14.05,-16.42,;15.38,-15.66,;16.71,-16.43,;18.04,-15.66,;18.04,-14.13,;16.7,-13.36,;15.37,-14.13,;12.83,-18.86,;11.48,-18.14,;11.48,-16.6,;10.2,-19,;10.2,-20.55,;11.54,-21.32,;12.99,-20.83,;13.91,-22.07,;13.02,-23.32,;11.55,-22.86,;8.81,-18.12,;7.46,-18.84,;7.46,-20.38,;6.18,-17.98,;4.97,-18.86,;3.61,-18.14,;3.62,-16.6,;2.34,-19,;1.13,-18.12,;-.21,-18.9,;-.19,-20.44,;-1.54,-18.13,;-2.87,-18.92,;-4.23,-18.19,;-4.23,-16.64,;-5.52,-19.06,;-5.52,-20.61,;-4.18,-21.39,;-2.84,-20.62,;-1.5,-21.39,;-1.5,-22.94,;-2.84,-23.71,;-4.18,-22.94,;-6.73,-18.17,;-8.09,-18.89,;-8.09,-20.45,;-9.38,-18.02,;-10.6,-18.92,;-9.38,-16.47,;-8.04,-15.7,;-8.04,-14.16,;-6.71,-13.43,;-6.66,-11.89,;-5.31,-11.15,;-7.98,-11.08,;-1.56,-16.59,;-3.1,-16.6,;-1.56,-15.04,;-.01,-16.58,;2.34,-20.55,;1.01,-21.32,;3.67,-21.32,;19.28,-18.45,;19.31,-16.91,;26.99,-17.91,;26.99,-16.37,;28.34,-18.63,;29.55,-17.74,;29.55,-16.21,;30.62,-15.11,;32.11,-15.5,;33.19,-14.4,;32.77,-12.92,;33.85,-11.82,;31.28,-12.54,;30.21,-13.64,;30.81,-18.61,;30.82,-20.14,;32.17,-17.89,;32.38,-16.37,;33.9,-16.11,;34.62,-17.46,;33.55,-18.57,;33.81,-20.08,;32.64,-21.07,;35.26,-20.61,;36.47,-19.75,;36.47,-18.19,;37.8,-17.43,;37.74,-20.59,;39.09,-19.86,;37.75,-22.13,)| Show InChI InChI=1S/C72H102N18O16S2/c1-40(2)30-49(61(96)85-53(33-44-23-25-46(92)26-24-44)69(104)90-29-15-22-55(90)65(100)86-54(38-107)70(105)106)81-57(94)37-89-28-13-12-21-48(68(89)103)82-62(97)50(31-42-16-8-6-9-17-42)84-63(98)52(34-45-35-76-39-79-45)80-56(93)36-78-66(101)58(41(3)91)87-67(102)59(72(4,5)108)88-64(99)51(32-43-18-10-7-11-19-43)83-60(95)47(73)20-14-27-77-71(74)75/h6-11,16-19,23-26,35,39-41,47-55,58-59,91-92,107-108H,12-15,20-22,27-34,36-38,73H2,1-5H3,(H,76,79)(H,78,101)(H,80,93)(H,81,94)(H,82,97)(H,83,95)(H,84,98)(H,85,96)(H,86,100)(H,87,102)(H,88,99)(H,105,106)(H4,74,75,77)/t41-,47+,48-,49+,50+,51+,52+,53+,54+,55+,58+,59+/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	103	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))	BDBM50270961 ((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2...) Show SMILES CC(C)C[C@H](NC(=O)CN1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C1=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:102.107,83.86,14.14,62.65,18.26,98.104,wD:4.4,43.45,75.79,29.37,51.61,47.49,(27.04,-22.59,;27.04,-21.07,;28.37,-20.3,;25.72,-20.3,;25.72,-18.76,;24.52,-17.88,;23.29,-18.81,;23.23,-20.35,;21.87,-18.22,;20.65,-19.15,;20.97,-20.66,;19.98,-21.84,;18.43,-21.82,;17.5,-20.59,;17.87,-19.1,;16.69,-18.11,;15.34,-18.84,;15.34,-20.39,;14.05,-17.98,;14.05,-16.42,;15.38,-15.66,;16.71,-16.43,;18.04,-15.66,;18.04,-14.13,;16.7,-13.36,;15.37,-14.13,;12.83,-18.86,;11.48,-18.14,;11.48,-16.6,;10.2,-19,;10.2,-20.55,;11.54,-21.32,;12.99,-20.83,;13.91,-22.07,;13.02,-23.32,;11.55,-22.86,;8.81,-18.12,;7.46,-18.84,;7.46,-20.38,;6.18,-17.98,;4.97,-18.86,;3.61,-18.14,;3.62,-16.6,;2.34,-19,;1.13,-18.12,;-.21,-18.9,;-.19,-20.44,;-1.54,-18.13,;-2.87,-18.92,;-4.23,-18.19,;-4.23,-16.64,;-5.52,-19.06,;-5.52,-20.61,;-4.18,-21.39,;-2.84,-20.62,;-1.5,-21.39,;-1.5,-22.94,;-2.84,-23.71,;-4.18,-22.94,;-6.73,-18.17,;-8.09,-18.89,;-8.09,-20.45,;-9.38,-18.02,;-10.6,-18.92,;-9.38,-16.47,;-8.04,-15.7,;-8.04,-14.16,;-6.71,-13.43,;-6.66,-11.89,;-5.31,-11.15,;-7.98,-11.08,;-1.56,-16.59,;-3.1,-16.6,;-1.56,-15.04,;-.01,-16.58,;2.34,-20.55,;1.01,-21.32,;3.67,-21.32,;19.28,-18.45,;19.31,-16.91,;26.99,-17.91,;26.99,-16.37,;28.34,-18.63,;29.55,-17.74,;29.55,-16.21,;30.62,-15.11,;32.11,-15.5,;33.19,-14.4,;32.77,-12.92,;33.85,-11.82,;31.28,-12.54,;30.21,-13.64,;30.81,-18.61,;30.82,-20.14,;32.17,-17.89,;32.38,-16.37,;33.9,-16.11,;34.62,-17.46,;33.55,-18.57,;33.81,-20.08,;32.64,-21.07,;35.26,-20.61,;36.47,-19.75,;36.47,-18.19,;37.8,-17.43,;37.74,-20.59,;39.09,-19.86,;37.75,-22.13,)| Show InChI InChI=1S/C72H102N18O16S2/c1-40(2)30-49(61(96)85-53(33-44-23-25-46(92)26-24-44)69(104)90-29-15-22-55(90)65(100)86-54(38-107)70(105)106)81-57(94)37-89-28-13-12-21-48(68(89)103)82-62(97)50(31-42-16-8-6-9-17-42)84-63(98)52(34-45-35-76-39-79-45)80-56(93)36-78-66(101)58(41(3)91)87-67(102)59(72(4,5)108)88-64(99)51(32-43-18-10-7-11-19-43)83-60(95)47(73)20-14-27-77-71(74)75/h6-11,16-19,23-26,35,39-41,47-55,58-59,91-92,107-108H,12-15,20-22,27-34,36-38,73H2,1-5H3,(H,76,79)(H,78,101)(H,80,93)(H,81,94)(H,82,97)(H,83,95)(H,84,98)(H,85,96)(H,86,100)(H,87,102)(H,88,99)(H,105,106)(H4,74,75,77)/t41-,47+,48-,49+,50+,51+,52+,53+,54+,55+,58+,59+/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	640	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