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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'srinivas' and Initial = 'h'   
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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575488
PNG
(CHEMBL4852381)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575492
PNG
(CHEMBL4784496)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575487
PNG
(CHEMBL4871560)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cn2)cc1 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575485
PNG
(CHEMBL4846099)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575479
PNG
(CHEMBL4878813)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575486
PNG
(CHEMBL4857223)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575483
PNG
(CHEMBL4869350)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(COCc2ccccc2)cc1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575477
PNG
(CHEMBL4859847)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575482
PNG
(CHEMBL4870263)
Show SMILES C[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1nnn(C[C@@H](N)CC(O)=O)n1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575488
PNG
(CHEMBL4852381)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
PDB
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575478
PNG
(CHEMBL4858542)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575481
PNG
(CHEMBL4866709)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(OCCc2ccccc2)cc1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575484
PNG
(CHEMBL4847272)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |r|
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575489
PNG
(CHEMBL4871711)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
PDB
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575465
PNG
(CHEMBL4851581)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nnn(CCN)n2)cc1
PDB
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575488
PNG
(CHEMBL4852381)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
PDB
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575468
PNG
(CHEMBL4879150)
Show SMILES NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
PDB
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575480
PNG
(CHEMBL4849465)
Show SMILES CCCCCOc1ccc(cc1)-c1nnn(C[C@H](N)CC(O)=O)n1 |r|
PDB
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575493
PNG
(Acebilustat | Ctx-4430 | EP-501)
Show SMILES OC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575475
PNG
(CHEMBL4875741)
Show SMILES N[C@@H](Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575471
PNG
(CHEMBL4861996)
Show SMILES C[C@H](CN)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
PDB
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575476
PNG
(CHEMBL4853421)
Show SMILES OC(=O)CNCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575490
PNG
(CHEMBL4874303)
Show SMILES COc1cnc(Oc2ccc(cc2)-c2nnn(C[C@H](N)CC(O)=O)n2)nc1 |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575492
PNG
(CHEMBL4784496)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575493
PNG
(Acebilustat | Ctx-4430 | EP-501)
Show SMILES OC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM50018286
PNG
(CHEMBL3290335)
Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C#N |r|
Show InChI InChI=1S/C27H23N7/c1-19-18-33(11-12-34(19)26-10-8-22(16-29)17-30-26)27-24-13-21(15-28)7-9-23(24)25(31-32-27)14-20-5-3-2-4-6-20/h2-10,13,17,19H,11-12,14,18H2,1H3/t19-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr


J Med Chem 57: 5074-84 (2014)


Article DOI: 10.1021/jm500338n
BindingDB Entry DOI: 10.7270/Q27S7Q93
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575473
PNG
(CHEMBL4870397)
Show SMILES OC(=O)CCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575492
PNG
(CHEMBL4784496)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6|
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575488
PNG
(CHEMBL4852381)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
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n/an/a 53n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50303649
PNG
(4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...)
Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1
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TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575478
PNG
(CHEMBL4858542)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
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n/an/a 63n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50303649
PNG
(4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...)
Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1
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TBA

Assay Description
Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575481
PNG
(CHEMBL4866709)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(OCCc2ccccc2)cc1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM50018284
PNG
(CHEMBL3290333)
Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H23F3N6/c1-18-17-35(11-12-36(18)25-10-7-20(15-31)16-32-25)26-23-14-21(27(28,29)30)8-9-22(23)24(33-34-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr


J Med Chem 57: 5074-84 (2014)


Article DOI: 10.1021/jm500338n
BindingDB Entry DOI: 10.7270/Q27S7Q93
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575469
PNG
(CHEMBL4869586)
Show SMILES NCCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
PDB
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n/an/a 113n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575465
PNG
(CHEMBL4851581)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nnn(CCN)n2)cc1
PDB
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575477
PNG
(CHEMBL4859847)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575483
PNG
(CHEMBL4869350)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(COCc2ccccc2)cc1 |r|
PDB
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575468
PNG
(CHEMBL4879150)
Show SMILES NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
PDB
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n/an/a 129n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575479
PNG
(CHEMBL4878813)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r|
PDB
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575484
PNG
(CHEMBL4847272)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575493
PNG
(Acebilustat | Ctx-4430 | EP-501)
Show SMILES OC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575482
PNG
(CHEMBL4870263)
Show SMILES C[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1nnn(C[C@@H](N)CC(O)=O)n1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575472
PNG
(CHEMBL4855474)
Show SMILES C[C@@H](N)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
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TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575480
PNG
(CHEMBL4849465)
Show SMILES CCCCCOc1ccc(cc1)-c1nnn(C[C@H](N)CC(O)=O)n1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575488
PNG
(CHEMBL4852381)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
PDB
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n/an/a 167n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575485
PNG
(CHEMBL4846099)
Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575489
PNG
(CHEMBL4871711)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r|
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Sphingosine-1-phosphate lyase 1


(Homo sapiens (Human))
BDBM50018282
PNG
(CHEBI:79045 | CHEMBL3290331)
Show SMILES C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr


J Med Chem 57: 5074-84 (2014)


Article DOI: 10.1021/jm500338n
BindingDB Entry DOI: 10.7270/Q27S7Q93
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50575487
PNG
(CHEMBL4871560)
Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cn2)cc1 |r|
PDB
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TBA

Assay Description
Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
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