BDBM50270912 (2S)-1-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-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-(2-methylphenyl)propanamido]acetamido}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic::CHEMBL509409

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1C)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=FOVBJJGWGDWTDE-YLCXNRQGSA-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 = 50270912   

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))	BDBM50270912 ((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](Cc1ccccc1C)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:50.60,46.48,42.44,83.87,28.36,4.4,89.91,104.109,108.112,114.118,129.135,72.75,wD:61.71,16.25,(35.58,-.23,;35.58,-1.75,;36.93,-2.53,;34.25,-2.53,;34.25,-4.05,;32.92,-4.82,;31.59,-4.04,;31.59,-2.52,;30.26,-4.8,;28.92,-4.02,;27.6,-4.79,;27.6,-6.34,;26.26,-4.02,;24.94,-4.78,;23.6,-3.99,;23.6,-2.47,;22.28,-4.76,;22.28,-6.31,;23.03,-7.63,;24.55,-7.64,;25.3,-8.95,;24.53,-10.28,;23.02,-10.26,;22.26,-8.94,;20.72,-8.94,;20.94,-3.99,;19.62,-4.75,;19.62,-6.29,;18.28,-3.97,;18.28,-2.45,;19.62,-1.67,;21.02,-2.31,;22.06,-1.19,;21.3,.15,;19.79,-.16,;16.96,-4.74,;15.62,-3.96,;15.62,-2.43,;14.29,-4.72,;12.96,-3.95,;11.63,-4.73,;11.63,-6.25,;10.29,-3.95,;8.98,-4.72,;7.64,-3.94,;7.65,-2.37,;6.3,-4.7,;4.96,-3.92,;3.62,-4.7,;3.62,-6.24,;2.29,-3.92,;2.29,-2.38,;3.62,-1.6,;4.98,-2.38,;6.31,-1.61,;6.31,-.07,;4.98,.7,;3.63,-.07,;.94,-4.7,;-.39,-3.92,;-.39,-2.38,;-1.74,-4.7,;-1.74,-6.24,;-.39,-7.01,;-.39,-8.58,;.94,-9.35,;.94,-10.89,;-.39,-11.66,;2.29,-11.66,;-3.09,-3.92,;-4.42,-4.7,;-4.42,-6.24,;-5.77,-3.92,;-7.12,-4.7,;-5.77,-2.38,;-4.42,-1.6,;-4.42,-.06,;-5.77,.71,;-3.09,.71,;6.31,-6.25,;7.84,-6.27,;4.76,-6.23,;6.3,-7.78,;10.29,-2.4,;8.97,-1.64,;11.64,-1.63,;35.58,-4.82,;35.58,-6.38,;36.91,-4.06,;38.25,-4.84,;39.57,-4.08,;39.57,-2.56,;38.26,-1.78,;38.26,-.25,;39.6,.51,;39.6,2.05,;40.93,-.26,;40.91,-1.79,;38.25,-6.39,;36.91,-7.17,;39.57,-7.15,;41.14,-6.61,;42.16,-7.94,;41.22,-9.32,;39.83,-8.64,;38.6,-9.57,;37.22,-8.89,;38.71,-11.1,;37.44,-11.97,;36.05,-11.28,;34.78,-12.15,;37.54,-13.49,;38.92,-14.17,;36.26,-14.36,;36.37,-15.88,;37.75,-16.56,;37.86,-18.09,;36.59,-18.95,;39.25,-18.76,;35.1,-16.75,;33.72,-16.07,;35.21,-18.28,;33.93,-19.14,;34.04,-20.67,;35.42,-21.34,;32.77,-21.53,;32.58,-23.2,;30.94,-23.54,;30.11,-22.09,;31.32,-21.13,;31.02,-19.62,;29.56,-19.13,;32.17,-18.61,)| Show InChI InChI=1S/C85H122N24O22S2/c1-44(2)31-54(75(122)104-59(33-48-22-24-51(111)25-23-48)82(129)109-30-13-20-61(109)79(126)105-60(42-132)78(125)103-58(36-64(88)113)73(120)96-41-68(117)108-29-14-21-62(108)83(130)131)98-66(115)39-93-65(114)38-94-72(119)56(34-49-18-11-10-15-45(49)3)102-76(123)57(35-50-37-91-43-97-50)99-67(116)40-95-80(127)69(46(4)110)106-81(128)70(85(5,6)133)107-77(124)55(32-47-16-8-7-9-17-47)101-74(121)53(19-12-28-92-84(89)90)100-71(118)52(86)26-27-63(87)112/h7-11,15-18,22-25,37,43-44,46,52-62,69-70,110-111,132-133H,12-14,19-21,26-36,38-42,86H2,1-6H3,(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,101,121)(H,102,123)(H,103,125)(H,104,122)(H,105,126)(H,106,128)(H,107,124)(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	200	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))	BDBM50270912 ((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](Cc1ccccc1C)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:50.60,46.48,42.44,83.87,28.36,4.4,89.91,104.109,108.112,114.118,129.135,72.75,wD:61.71,16.25,(35.58,-.23,;35.58,-1.75,;36.93,-2.53,;34.25,-2.53,;34.25,-4.05,;32.92,-4.82,;31.59,-4.04,;31.59,-2.52,;30.26,-4.8,;28.92,-4.02,;27.6,-4.79,;27.6,-6.34,;26.26,-4.02,;24.94,-4.78,;23.6,-3.99,;23.6,-2.47,;22.28,-4.76,;22.28,-6.31,;23.03,-7.63,;24.55,-7.64,;25.3,-8.95,;24.53,-10.28,;23.02,-10.26,;22.26,-8.94,;20.72,-8.94,;20.94,-3.99,;19.62,-4.75,;19.62,-6.29,;18.28,-3.97,;18.28,-2.45,;19.62,-1.67,;21.02,-2.31,;22.06,-1.19,;21.3,.15,;19.79,-.16,;16.96,-4.74,;15.62,-3.96,;15.62,-2.43,;14.29,-4.72,;12.96,-3.95,;11.63,-4.73,;11.63,-6.25,;10.29,-3.95,;8.98,-4.72,;7.64,-3.94,;7.65,-2.37,;6.3,-4.7,;4.96,-3.92,;3.62,-4.7,;3.62,-6.24,;2.29,-3.92,;2.29,-2.38,;3.62,-1.6,;4.98,-2.38,;6.31,-1.61,;6.31,-.07,;4.98,.7,;3.63,-.07,;.94,-4.7,;-.39,-3.92,;-.39,-2.38,;-1.74,-4.7,;-1.74,-6.24,;-.39,-7.01,;-.39,-8.58,;.94,-9.35,;.94,-10.89,;-.39,-11.66,;2.29,-11.66,;-3.09,-3.92,;-4.42,-4.7,;-4.42,-6.24,;-5.77,-3.92,;-7.12,-4.7,;-5.77,-2.38,;-4.42,-1.6,;-4.42,-.06,;-5.77,.71,;-3.09,.71,;6.31,-6.25,;7.84,-6.27,;4.76,-6.23,;6.3,-7.78,;10.29,-2.4,;8.97,-1.64,;11.64,-1.63,;35.58,-4.82,;35.58,-6.38,;36.91,-4.06,;38.25,-4.84,;39.57,-4.08,;39.57,-2.56,;38.26,-1.78,;38.26,-.25,;39.6,.51,;39.6,2.05,;40.93,-.26,;40.91,-1.79,;38.25,-6.39,;36.91,-7.17,;39.57,-7.15,;41.14,-6.61,;42.16,-7.94,;41.22,-9.32,;39.83,-8.64,;38.6,-9.57,;37.22,-8.89,;38.71,-11.1,;37.44,-11.97,;36.05,-11.28,;34.78,-12.15,;37.54,-13.49,;38.92,-14.17,;36.26,-14.36,;36.37,-15.88,;37.75,-16.56,;37.86,-18.09,;36.59,-18.95,;39.25,-18.76,;35.1,-16.75,;33.72,-16.07,;35.21,-18.28,;33.93,-19.14,;34.04,-20.67,;35.42,-21.34,;32.77,-21.53,;32.58,-23.2,;30.94,-23.54,;30.11,-22.09,;31.32,-21.13,;31.02,-19.62,;29.56,-19.13,;32.17,-18.61,)| Show InChI InChI=1S/C85H122N24O22S2/c1-44(2)31-54(75(122)104-59(33-48-22-24-51(111)25-23-48)82(129)109-30-13-20-61(109)79(126)105-60(42-132)78(125)103-58(36-64(88)113)73(120)96-41-68(117)108-29-14-21-62(108)83(130)131)98-66(115)39-93-65(114)38-94-72(119)56(34-49-18-11-10-15-45(49)3)102-76(123)57(35-50-37-91-43-97-50)99-67(116)40-95-80(127)69(46(4)110)106-81(128)70(85(5,6)133)107-77(124)55(32-47-16-8-7-9-17-47)101-74(121)53(19-12-28-92-84(89)90)100-71(118)52(86)26-27-63(87)112/h7-11,15-18,22-25,37,43-44,46,52-62,69-70,110-111,132-133H,12-14,19-21,26-36,38-42,86H2,1-6H3,(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,101,121)(H,102,123)(H,103,125)(H,104,122)(H,105,126)(H,106,128)(H,107,124)(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	1.00E+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