Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transmembrane protease serine 6' and Ligand = 'BDBM50125047'   

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
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50125047 (CHEMBL3623789) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)[C@@H](C)O |r| Show InChI InChI=1S/C53H87N21O17S2/c1-26(76)40-48(87)66-29(8-2-3-13-54)42(81)69-33(22-75)44(83)67-31(19-39(78)79)49(88)74-17-7-12-37(74)50(89)73-16-6-11-36(73)47(86)65-30(10-5-15-62-53(58)59)43(82)70-34(45(84)68-32(51(90)91)18-27-21-60-25-63-27)23-92-93-24-35(46(85)72-40)71-41(80)28(64-38(77)20-55)9-4-14-61-52(56)57/h21,25-26,28-37,40,75-76H,2-20,22-24,54-55H2,1H3,(H,60,63)(H,64,77)(H,65,86)(H,66,87)(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,80)(H,72,85)(H,78,79)(H,90,91)(H4,56,57,61)(H4,58,59,62)/t26-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,40+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queensland University of Technology Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrophotometry method				J Med Chem 58: 8257-68 (2015) Article DOI: 10.1021/acs.jmedchem.5b01148 BindingDB Entry DOI: 10.7270/Q2PR7XSJ
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