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BDBM50440009 CHEMBL2425401

SMILES: CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=ZEKXKFLIPJYMNJ-FCVRGQDJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440009   
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
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)		BDBM50440009
PNG
(CHEMBL2425401)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C34H58N10O11/c1-15(2)10-21(35)28(48)43-27(19(7)46)33(53)40-22(8-9-25(36)47)29(49)42-24(12-20-13-37-14-38-20)30(50)41-23(11-16(3)4)31(51)44-26(18(6)45)32(52)39-17(5)34(54)55/h13-19,21-24,26-27,45-46H,8-12,35H2,1-7H3,(H2,36,47)(H,37,38)(H,39,52)(H,40,53)(H,41,50)(H,42,49)(H,43,48)(H,44,51)(H,54,55)/t17-,18+,19+,21-,22-,23-,24-,26-,27-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
n/an/a 2.14E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...

Citation and Details

Article DOI: 10.1007/s00044-013-0845-4
BindingDB Entry DOI: 10.7270/Q27H1M17
More data for this
Ligand-Target Pair