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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50096724'   
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
Trypsin


(Homo sapiens (Human))		BDBM50096724
PNG
((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C42H63N7O14/c1-8-9-14-25(34(57)36(43)58)45-38(60)27(19-22(2)3)48-41(63)35(42(5,6)7)49-40(62)28(20-24-13-11-10-12-23(24)4)47-37(59)26(15-17-31(51)52)46-39(61)29(21-33(55)56)44-30(50)16-18-32(53)54/h10-13,22,25-29,35H,8-9,14-21H2,1-7H3,(H2,43,58)(H,44,50)(H,45,60)(H,46,61)(H,47,59)(H,48,63)(H,49,62)(H,51,52)(H,53,54)(H,55,56)/t25-,26+,27+,28+,29+,35-/m1/s1
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Similars
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Roche Discover Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 of (endomorphin 2) in guinea pig ileum was determined

Bioorg Med Chem Lett 11: 355-7 (2001)


BindingDB Entry DOI: 10.7270/Q2WQ0322
More data for this
Ligand-Target Pair