BDBM50130414 CHEMBL438270::IKCNCKRHVIAPHICRKICGKN-NH2

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=ZXWNTWSNIJHIJD-KQVBMZTOSA-N

Data: 1 IC50

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 1 hit for monomerid = 50130414   

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
IgE Fc receptor, alpha-subunit (Homo sapiens (Human))	BDBM50130414 (CHEMBL438270 | IKCNCKRHVIAPHICRKICGKN-NH2) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C107H189N39O24S4/c1-12-55(7)80(114)100(165)133-64(29-18-22-36-110)91(156)138-74(50-173)98(163)136-71(44-78(113)148)93(158)139-73(49-172)96(161)131-63(28-17-21-35-109)88(153)130-67(32-25-39-123-107(118)119)90(155)135-69(41-60-45-120-52-125-60)94(159)142-81(54(5)6)101(166)145-82(56(8)13-2)102(167)127-59(11)105(170)146-40-26-33-76(146)99(164)137-70(42-61-46-121-53-126-61)95(160)144-84(58(10)15-4)104(169)141-75(51-174)97(162)132-66(31-24-38-122-106(116)117)89(154)129-65(30-19-23-37-111)92(157)143-83(57(9)14-3)103(168)140-72(48-171)86(151)124-47-79(149)128-62(27-16-20-34-108)87(152)134-68(85(115)150)43-77(112)147/h45-46,52-59,62-76,80-84,171-174H,12-44,47-51,108-111,114H2,1-11H3,(H2,112,147)(H2,113,148)(H2,115,150)(H,120,125)(H,121,126)(H,124,151)(H,127,167)(H,128,149)(H,129,154)(H,130,153)(H,131,161)(H,132,162)(H,133,165)(H,134,152)(H,135,155)(H,136,163)(H,137,164)(H,138,156)(H,139,158)(H,140,168)(H,141,169)(H,142,159)(H,143,157)(H,144,160)(H,145,166)(H4,116,117,122)(H4,118,119,123)/t55-,56-,57-,58-,59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-,82-,83-,84-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mount Sinai School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards Fc-epsilon RI-alpha human mast cell receptor was determined				J Med Chem 46: 3008-12 (2003) Article DOI: 10.1021/jm0204892 BindingDB Entry DOI: 10.7270/Q25M6532
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