BDBM50326019 (2R,5S,8S,11S,14S,17S)-1-((S)-2-((5R,8S,11S,14S,17S,20S)-1-amino-14-(2-carboxyethyl)-17-(carboxymethyl)-8-isobutyl-5-(mercaptomethyl)-11-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazahenicosan-20-ylcarbamoyl)pyrrolidin-1-yl)-5-(2-amino-2-oxoethyl)-17-((S)-2-((R)-2-((S)-2-aminopropanamido)-3-mercaptopropanamido)-3-hydroxypropanamido)-11-benzyl-8,14-bis(3-guanidinopropyl)-2-(mercaptomethyl)-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid::CHEMBL1240701

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key: InChIKey=IHCIVWJSOFPNDK-BKIIEESMSA-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 = 50326019   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50326019 ((2R,5S,8S,11S,14S,17S)-1-((S)-2-((5R,8S,11S,14S,17...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C72H115N25O25S3/c1-32(2)22-40(62(114)95-46(29-123)58(110)82-27-51(75)100)88-56(108)34(4)83-59(111)39(17-18-52(101)102)87-65(117)43(25-53(103)104)89-57(109)35(5)84-69(121)49-16-11-21-97(49)70(122)48(31-125)96-64(116)42(24-50(74)99)91-61(113)38(15-10-20-81-72(78)79)85-63(115)41(23-36-12-7-6-8-13-36)90-60(112)37(14-9-19-80-71(76)77)86-66(118)44(26-54(105)106)92-67(119)45(28-98)93-68(120)47(30-124)94-55(107)33(3)73/h6-8,12-13,32-35,37-49,98,123-125H,9-11,14-31,73H2,1-5H3,(H2,74,99)(H2,75,100)(H,82,110)(H,83,111)(H,84,121)(H,85,115)(H,86,118)(H,87,117)(H,88,108)(H,89,109)(H,90,112)(H,91,113)(H,92,119)(H,93,120)(H,94,107)(H,95,114)(H,96,116)(H,101,102)(H,103,104)(H,105,106)(H4,76,77,80)(H4,78,79,81)/t33-,34-,35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Molecular Biology, Medical Research Council Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using Z-Phe-Arg-AMC substrate after 30 mins by spectrophotometric assay				Nat Chem Biol 5: 502-7 (2009) Article DOI: 10.1038/nchembio.184 BindingDB Entry DOI: 10.7270/Q2Z60P9P
					More data for this Ligand-Target Pair