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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50211721'   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50211721
PNG
((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...)
Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C53H84N12O15S2/c1-7-9-12-32(54)44(70)59-36-25-81-82-26-40(56-34(53(79)80)23-30-15-17-31(68)18-16-30)60-45(71)33(19-20-39(55)69)57-48(74)37-13-10-21-64(37)51(77)38-14-11-22-65(38)52(78)42(28(5)8-2)62-46(72)35(24-66)58-50(76)43(29(6)67)63-49(75)41(27(3)4)61-47(36)73/h15-18,27-29,32-38,40-43,56,66-68H,7-14,19-26,54H2,1-6H3,(H2,55,69)(H,57,74)(H,58,76)(H,59,70)(H,60,71)(H,61,73)(H,62,72)(H,63,75)(H,79,80)/t28-,29+,32-,33-,34-,35-,36-,37-,38-,40+,41-,42-,43-/m0/s1
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MMDB

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Similars
Article
PubMed
 130n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase

Bioorg Med Chem 15: 4618-28 (2007)


Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT
More data for this
Ligand-Target Pair