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Compile Data Set for Download or QSAR

Found 60 hits from Dr. Hari Singh Gour University   
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403048
PNG
(CHEMBL2216805)
Show SMILES CN1CCC=C(C1)N1C(SCC1=O)c1ccc(C)cc1
Show InChI InChI=1/C16H20N2OS/c1-12-5-7-13(8-6-12)16-18(15(19)11-20-16)14-4-3-9-17(2)10-14/h4-8,16H,3,9-11H2,1-2H3
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2.60E+4n/an/an/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from M1 receptor in Wistar rat cerebral cortex homogenate


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
BindingDB Entry DOI: 10.7270/Q2222VX4
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206615
PNG
(CHEMBL3903832)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C11H6F2N2O2/c12-7-2-1-6(5-8(7)13)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.200n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206604
PNG
(CHEMBL3931822)
Show SMILES OC(=O)c1nccc(n1)-c1cccc(Cl)c1F
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(9(7)13)8-4-5-14-10(15-8)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.200n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206625
PNG
(CHEMBL3894894)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-2-1-6(5-8(7)13)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.300n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206628
PNG
(CHEMBL3921825)
Show SMILES OC(=O)c1nccc(n1)-c1cccc(F)c1
Show InChI InChI=1S/C11H7FN2O2/c12-8-3-1-2-7(6-8)9-4-5-13-10(14-9)11(15)16/h1-6H,(H,15,16)
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n/an/a 0.300n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50403049
PNG
(CHEMBL2216806)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(OCc3ccccc3)cc2)C1=O
Show InChI InChI=1S/C25H19NO4S2/c27-23(28)15-26-24(29)22(32-25(26)31)14-17-6-8-19(9-7-17)20-10-12-21(13-11-20)30-16-18-4-2-1-3-5-18/h1-14H,15-16H2,(H,27,28)/b22-14-
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MMDB

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n/an/a 0.480n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B using pNPP as substrate by spectrophotometric analysis


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
BindingDB Entry DOI: 10.7270/Q2222VX4
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206607
PNG
(CHEMBL3960765)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-7-8(1-4-12(10)20-9-2-3-9)11-5-6-16-13(17-11)14(18)19/h1,4-7,9H,2-3H2,(H,18,19)
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n/an/a 0.5n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072082
PNG
(CHEMBL3407865)
Show SMILES OC(=O)c1cc(ncn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-2-7(4-8)9-5-10(11(15)16)14-6-13-9/h1-6H,(H,15,16)
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n/an/a 0.5n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072077
PNG
(CHEMBL3407866)
Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H6Cl2N2O2/c12-7-2-1-6(3-8(7)13)9-4-10(11(16)17)15-5-14-9/h1-5H,(H,16,17)
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n/an/a 0.600n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206622
PNG
(CHEMBL3949189)
Show SMILES Cc1ccc(cc1Cl)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O2/c1-7-2-3-8(6-9(7)13)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17)
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n/an/a 0.700n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206575
PNG
(CHEMBL3930333)
Show SMILES Cc1ccc(cc1F)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H9FN2O2/c1-7-2-3-8(6-9(7)13)10-4-5-14-11(15-10)12(16)17/h2-6H,1H3,(H,16,17)
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n/an/a 0.900n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206630
PNG
(CHEMBL3922876)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C11H6ClFN2O2/c12-7-5-6(1-2-8(7)13)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 0.900n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206616
PNG
(CHEMBL3983459)
Show SMILES COc1ccc(cc1Cl)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H9ClN2O3/c1-18-10-3-2-7(6-8(10)13)9-4-5-14-11(15-9)12(16)17/h2-6H,1H3,(H,16,17)
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n/an/a 1.20n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206626
PNG
(CHEMBL3924368)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2COC2)c(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-5-8(1-2-12(10)21-9-6-20-7-9)11-3-4-16-13(17-11)14(18)19/h1-5,9H,6-7H2,(H,18,19)
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n/an/a 2n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206608
PNG
(CHEMBL3915370)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C12H6ClF3N2O3/c13-7-5-6(1-2-9(7)21-12(14,15)16)8-3-4-17-10(18-8)11(19)20/h1-5H,(H,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072092
PNG
(CHEMBL3407874)
Show SMILES OC(=O)c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)8-3-4-15-11(6-8)12(16)17/h1-6H,(H,16,17)
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n/an/a 3.20n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206601
PNG
(CHEMBL3939321)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C12H6ClF3N2O2/c13-8-5-6(1-2-7(8)12(14,15)16)9-3-4-17-10(18-9)11(19)20/h1-5H,(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206570
PNG
(CHEMBL3965088)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C14H13ClN2O3/c1-8(2)20-12-4-3-9(7-10(12)15)11-5-6-16-13(17-11)14(18)19/h3-8H,1-2H3,(H,18,19)
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n/an/a 6n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072095
PNG
(CHEMBL3407877)
Show SMILES OC(=O)c1ncnc(c1F)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)
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n/an/a 6n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072098
PNG
(CHEMBL3407880)
Show SMILES Cc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C12H8Cl2N2O2/c1-6-10(15-5-16-11(6)12(17)18)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206621
PNG
(CHEMBL3912846)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-13-10(14-9)11(15)16/h1-6H,(H,15,16)
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n/an/a 11n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206696
PNG
(CHEMBL3936708)
Show SMILES OC(=O)c1cc(nc(Cl)n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H5Cl3N2O2/c12-6-2-1-5(3-7(6)13)8-4-9(10(17)18)16-11(14)15-8/h1-4H,(H,17,18)
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n/an/a 12n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206618
PNG
(CHEMBL3952066)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2CCC2)c(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c16-11-8-9(4-5-13(11)21-10-2-1-3-10)12-6-7-17-14(18-12)15(19)20/h4-8,10H,1-3H2,(H,19,20)
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n/an/a 12n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206623
PNG
(CHEMBL3977350)
Show SMILES Cc1cccc(c1)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-2-4-9(7-8)10-5-6-13-11(14-10)12(15)16/h2-7H,1H3,(H,15,16)
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n/an/a 17n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206573
PNG
(CHEMBL3949609)
Show SMILES OC(=O)c1nccc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H7ClN2O2/c12-8-3-1-2-7(6-8)9-4-5-13-10(14-9)11(15)16/h1-6H,(H,15,16)
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n/an/a 19n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206609
PNG
(CHEMBL3968864)
Show SMILES OC(=O)c1nccc(n1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H7F3N2O2/c13-12(14,15)8-3-1-2-7(6-8)9-4-5-16-10(17-9)11(18)19/h1-6H,(H,18,19)
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n/an/a 22n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072103
PNG
(CHEMBL3407885)
Show SMILES Clc1ccc(cc1Cl)-c1cc(ncn1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H11Cl2N3O3S/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-26(24,25)12-4-2-1-3-5-12/h1-10H,(H,22,23)
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n/an/a 25n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206611
PNG
(CHEMBL3971724)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C12H6F4N2O2/c13-8-2-1-6(5-7(8)12(14,15)16)9-3-4-17-10(18-9)11(19)20/h1-5H,(H,19,20)
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n/an/a 32n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072100
PNG
(CHEMBL3407882)
Show SMILES COCc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C13H10Cl2N2O3/c1-20-5-8-11(16-6-17-12(8)13(18)19)7-2-3-9(14)10(15)4-7/h2-4,6H,5H2,1H3,(H,18,19)
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n/an/a 33n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072085
PNG
(CHEMBL3407867)
Show SMILES OC(=O)c1cc(ncn1)-c1ccccc1
Show InChI InChI=1S/C11H8N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
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n/an/a 38n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206572
PNG
(CHEMBL3948527)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C11H6ClFN2O2/c12-6-1-2-7(8(13)5-6)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 38n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072097
PNG
(CHEMBL3407879)
Show SMILES COc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C12H8Cl2N2O3/c1-19-11-9(15-5-16-10(11)12(17)18)6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,17,18)
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n/an/a 40n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206606
PNG
(CHEMBL3933304)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OCC2CC2)c(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c16-11-7-10(3-4-13(11)21-8-9-1-2-9)12-5-6-17-14(18-12)15(19)20/h3-7,9H,1-2,8H2,(H,19,20)
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n/an/a 49n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206603
PNG
(CHEMBL3907526)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2CCCC2)c(Cl)c1
Show InChI InChI=1S/C16H15ClN2O3/c17-12-9-10(13-7-8-18-15(19-13)16(20)21)5-6-14(12)22-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,20,21)
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n/an/a 57n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206571
PNG
(CHEMBL3912403)
Show SMILES COc1cc(ccc1C)-c1ccnc(n1)C(O)=O
Show InChI InChI=1S/C13H12N2O3/c1-8-3-4-9(7-11(8)18-2)10-5-6-14-12(15-10)13(16)17/h3-7H,1-2H3,(H,16,17)
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n/an/a 60n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206602
PNG
(CHEMBL3977740)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C11H6F2N2O2/c12-6-1-2-7(8(13)5-6)9-3-4-14-10(15-9)11(16)17/h1-5H,(H,16,17)
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n/an/a 76n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206612
PNG
(CHEMBL3931378)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C17H18ClN3O4/c18-13-11-12(14-3-4-19-16(20-14)17(22)23)1-2-15(13)25-10-7-21-5-8-24-9-6-21/h1-4,11H,5-10H2,(H,22,23)
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n/an/a 83n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072093
PNG
(CHEMBL3407875)
Show SMILES OC(=O)c1ccnc(c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(5-10(9)14)11-6-8(12(16)17)3-4-15-11/h1-6H,(H,16,17)
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n/an/a 90n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50403053
PNG
(CHEMBL2216810)
Show SMILES C[C@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12
Show InChI InChI=1/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29+,33+/s2
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n/an/a 110n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
BindingDB Entry DOI: 10.7270/Q2222VX4
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072096
PNG
(CHEMBL3407878)
Show SMILES OC(=O)c1ncnc(c1O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H6Cl2N2O3/c12-6-2-1-5(3-7(6)13)8-10(16)9(11(17)18)15-4-14-8/h1-4,16H,(H,17,18)
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n/an/a 140n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50142347
PNG
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H35Cl3N4O3S/c1-19-20(7-5-8-23(19)31)17-34-26(37)16-25-28(39)36(29(40-25)22-10-9-21(30)15-24(22)32)18-27(38)33-11-6-14-35-12-3-2-4-13-35/h5,7-10,15,25,29H,2-4,6,11-14,16-18H2,1H3,(H,33,38)(H,34,37)/t25-,29-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
BindingDB Entry DOI: 10.7270/Q2222VX4
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072099
PNG
(CHEMBL3407881)
Show SMILES Nc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H7Cl2N3O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,14H2,(H,17,18)
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n/an/a 260n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206642
PNG
(CHEMBL3974009)
Show SMILES Clc1ccc(cc1Cl)-c1cc(ncn1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H11Cl2N3O/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-12-4-2-1-3-5-12/h1-10H,(H,22,23)
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n/an/a 270n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206620
PNG
(CHEMBL3967583)
Show SMILES OC(=O)c1cccc(c1)C1CCCCC1
Show InChI InChI=1S/C13H16O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,14,15)
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n/an/a 340n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206569
PNG
(CHEMBL3978057)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(OC2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H17ClN2O3/c18-13-10-11(14-8-9-19-16(20-14)17(21)22)6-7-15(13)23-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,21,22)
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n/an/a 430n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206617
PNG
(CHEMBL3917417)
Show SMILES OC(=O)c1nccc(n1)-c1ccc(N2CCCC2)c(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2/c16-11-9-10(3-4-13(11)19-7-1-2-8-19)12-5-6-17-14(18-12)15(20)21/h3-6,9H,1-2,7-8H2,(H,20,21)
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n/an/a 550n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50195792
PNG
(CHEMBL3896367)
Show SMILES OC(=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)
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n/an/a 990n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50403052
PNG
(CHEMBL2216811)
Show SMILES [O-][N+](=O)c1ccc2N(Cc3ccc(Br)cc3)C(=O)C3(N(C(=O)CS3(=O)=O)c3ccc(F)c(F)c3)c2c1
Show InChI InChI=1/C23H14BrF2N3O6S/c24-14-3-1-13(2-4-14)11-27-20-8-6-16(29(32)33)9-17(20)23(22(27)31)28(21(30)12-36(23,34)35)15-5-7-18(25)19(26)10-15/h1-10H,11-12H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis protein tyrosine phosphatase B


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
BindingDB Entry DOI: 10.7270/Q2222VX4
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206574
PNG
(CHEMBL3956495)
Show SMILES OC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C13H8Cl2O3/c14-11-5-4-10(7-12(11)15)18-9-3-1-2-8(6-9)13(16)17/h1-7H,(H,16,17)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50206641
PNG
(CHEMBL3940840)
Show SMILES Nc1nccc(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H7Cl2N3/c11-7-2-1-6(5-8(7)12)9-3-4-14-10(13)15-9/h1-5H,(H2,13,14,15)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of human KMO


Bioorg Med Chem Lett 26: 5712-5718 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.058
BindingDB Entry DOI: 10.7270/Q2JH3P5D
More data for this
Ligand-Target Pair
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