Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50326037'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasma kallikrein (Homo sapiens (Human))	BDBM50326037 (CHEMBL1240604) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)NCC(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3)C(C)C |r| Show InChI InChI=1S/C72H115N27O24S3/c1-6-32(4)56-70(123)94-44(24-101)67(120)96-46(58(111)85-20-51(77)105)29-125-26-35-13-34-14-36(15-35)27-126-30-47(68(121)89-38(10-8-12-83-72(80)81)61(114)98-55(31(2)3)69(122)92-40(17-49(75)103)63(116)90-41(18-50(76)104)65(118)99-56)97-60(113)37(9-7-11-82-71(78)79)88-64(117)42(19-54(108)109)91-66(119)43(23-100)93-62(115)39(16-48(74)102)87-53(107)22-84-52(106)21-86-59(112)45(28-124-25-34)95-57(110)33(5)73/h13-15,31-33,37-47,55-56,100-101H,6-12,16-30,73H2,1-5H3,(H2,74,102)(H2,75,103)(H2,76,104)(H2,77,105)(H,84,106)(H,85,111)(H,86,112)(H,87,107)(H,88,117)(H,89,121)(H,90,116)(H,91,119)(H,92,122)(H,93,115)(H,94,123)(H,95,110)(H,96,120)(H,97,113)(H,98,114)(H,99,118)(H,108,109)(H4,78,79,82)(H4,80,81,83)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55-,56-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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
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