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BDBM50291918 2alpha-(benzoyloxy)3-[(benzoyloxy)methyl]-4-(tert-butyl-carbonyl)-7alpha-methoxy-delat3-cephem 1,1-dioxide::CHEMBL341213

SMILES: CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)S2(=O)=O

InChI Key: InChIKey=QNYMAMUJOMUUAS-RZFHSFIVSA-N

Data: 1 Kon

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291918   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50291918
PNG
(2alpha-(benzoyloxy)3-[(benzoyloxy)methyl]-4-(tert-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)S2(=O)=O |t:14|
Show InChI InChI=1S/C27H27NO9S/c1-27(2,3)21(29)19-18(15-36-24(31)16-11-7-5-8-12-16)26(37-25(32)17-13-9-6-10-14-17)38(33,34)23-20(35-4)22(30)28(19)23/h5-14,20,23,26H,15H2,1-4H3/t20-,23?,26-/m0/s1
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Similars
PubMed
n/an/an/an/an/an/a 1.60n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation

J Med Chem 37: 4003-19 (1994)


BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair