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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50233907'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Serine protease 1


(Bos taurus (bovine))		BDBM50233907
PNG
(CHEMBL4102547)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r|
Show InChI InChI=1S/C88H141N23O21S2/c1-8-49(5)68-81(126)103-60-46-133-134-47-61(77(122)106-70(51(7)114)82(127)97-54(26-14-16-34-90)72(117)100-58(44-112)75(120)105-69(50(6)9-2)87(132)111-40-22-32-66(111)86(131)109-38-20-30-64(109)80(125)104-68)102-73(118)56(41-48(3)4)99-79(124)63-29-19-36-107(63)84(129)59(45-113)101-74(119)57(42-52-23-11-10-12-24-52)95-67(115)43-94-78(123)62-28-18-37-108(62)85(130)65-31-21-39-110(65)83(128)55(27-17-35-93-88(91)92)98-71(116)53(96-76(60)121)25-13-15-33-89/h10-12,23-24,48-51,53-66,68-70,112-114H,8-9,13-22,25-47,89-90H2,1-7H3,(H,94,123)(H,95,115)(H,96,121)(H,97,127)(H,98,116)(H,99,124)(H,100,117)(H,101,119)(H,102,118)(H,103,126)(H,104,125)(H,105,120)(H,106,122)(H4,91,92,93)/t49-,50-,51+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,68-,69-,70-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Similars
Article
PubMed
 5.10n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo...

J Med Chem 60: 504-510 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS
More data for this
Ligand-Target Pair