BDBM50326040 CHEMBL1240598

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c4ccc(-[#8])cc4)-[#6](=O)-[#7]-2)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)c3

InChI Key: InChIKey=RXSWLHXOULKHGB-UZJLTCPZSA-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 = 50326040   

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))	BDBM50326040 (CHEMBL1240598) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c4ccc(-[#8])cc4)-[#6](=O)-[#7]-2)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)c3 |r| Show InChI InChI=1S/C92H136N24O24S3/c1-7-47(3)72-87(137)107-62(38-51-16-10-9-11-17-51)89(139)115-32-14-20-67(115)84(134)110-64(76(126)101-39-69(94)120)44-141-41-53-34-54-36-55(35-53)43-143-46-66(90(140)116-33-15-21-68(116)85(135)113-73(48(4)8-2)86(136)104-60(80(130)112-72)27-29-71(123)124)111-81(131)61(37-52-22-24-56(119)25-23-52)106-78(128)58(19-13-31-100-92(97)98)102-77(127)57(18-12-30-99-91(95)96)103-79(129)59(26-28-70(121)122)105-88(138)74(50(6)118)114-82(132)63(40-117)108-83(133)65(45-142-42-54)109-75(125)49(5)93/h9-11,16-17,22-25,34-36,47-50,57-68,72-74,117-119H,7-8,12-15,18-21,26-33,37-46,93H2,1-6H3,(H2,94,120)(H,101,126)(H,102,127)(H,103,129)(H,104,136)(H,105,138)(H,106,128)(H,107,137)(H,108,133)(H,109,125)(H,110,134)(H,111,131)(H,112,130)(H,113,135)(H,114,132)(H,121,122)(H,123,124)(H4,95,96,99)(H4,97,98,100)/t47-,48-,49-,50-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73?,74-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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