BDBM50326699 (2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(dimethylamino)-1,3-dioxoisoindolin-2-yl)-5-(3-guanidinopropyl)-8-(hydroxymethyl)-14,17,20,23,28-pentamethyl-11-(2-(methylthio)ethyl)-3,6,9,12,15,18,21,24-octaoxo-4,7,10,13,16,19,22,25-octaazanonacosane-26-carboxylic acid::CHEMBL1253322

SMILES: [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key: InChIKey=OOMFMXWICUAUGW-AYEMWTTHSA-N

Data: 2 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 2 hits for monomerid = 50326699   

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
HLA class II histocompatibility antigen DRB1-1 (Homo sapiens (Human))	BDBM50326699 ((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(d...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C45H72N14O13S/c1-21(2)17-32(44(71)72)56-37(64)25(6)52-35(62)23(4)50-34(61)22(3)51-36(63)24(5)53-39(66)31(14-16-73-9)55-41(68)33(20-60)57-40(67)30(11-10-15-49-45(47)48)54-38(65)29(46)19-59-42(69)27-13-12-26(58(7)8)18-28(27)43(59)70/h12-13,18,21-25,29-33,60H,10-11,14-17,19-20,46H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,65)(H,55,68)(H,56,64)(H,57,67)(H,71,72)(H4,47,48,49)/t22-,23-,24-,25-,29-,30-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA				Nat Chem Biol 3: 222-8 (2007) Article DOI: 10.1038/nchembio868 BindingDB Entry DOI: 10.7270/Q2HT2PJR
					More data for this Ligand-Target Pair
HLA class II histocompatibility antigen DRB1-1 (Homo sapiens (Human))	BDBM50326699 ((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(d...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C45H72N14O13S/c1-21(2)17-32(44(71)72)56-37(64)25(6)52-35(62)23(4)50-34(61)22(3)51-36(63)24(5)53-39(66)31(14-16-73-9)55-41(68)33(20-60)57-40(67)30(11-10-15-49-45(47)48)54-38(65)29(46)19-59-42(69)27-13-12-26(58(7)8)18-28(27)43(59)70/h12-13,18,21-25,29-33,60H,10-11,14-17,19-20,46H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,65)(H,55,68)(H,56,64)(H,57,67)(H,71,72)(H4,47,48,49)/t22-,23-,24-,25-,29-,30-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA				Nat Chem Biol 3: 222-8 (2007) Article DOI: 10.1038/nchembio868 BindingDB Entry DOI: 10.7270/Q2HT2PJR
					More data for this Ligand-Target Pair