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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50089097   
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


(Homo sapiens (Human))		BDBM50089097
PNG
(CHEMBL21028 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Lys)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(O)=O
Show InChI InChI=1S/C45H73N9O11S/c1-7-27(4)37(44(63)54-22-13-17-35(54)43(62)50-32(45(64)65)16-11-12-21-46)53-38(57)28(5)48-40(59)31(18-19-36(55)56)49-41(60)33(24-26(2)3)52-42(61)34(25-29-14-9-8-10-15-29)51-39(58)30(47)20-23-66-6/h8-10,14-15,26-28,30-35,37H,7,11-13,16-25,46-47H2,1-6H3,(H,48,59)(H,49,60)(H,50,62)(H,51,58)(H,52,61)(H,53,57)(H,55,56)(H,64,65)/t27-,28-,30-,31-,32-,33-,34-,35+,37-/m1/s1
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MMDB

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Similars
PubMed
 5.40E+5n/an/an/an/an/an/an/an/a



The Oxford Centre for Molecular Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition constant of the compound was tested against trypsin using the reporter substrate Ac-R-pNa

Bioorg Med Chem Lett 10: 1219-21 (2000)


BindingDB Entry DOI: 10.7270/Q2FQ9VTD
More data for this
Ligand-Target Pair