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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P9WKI7   
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
Inosine-5'-monophosphate dehydrogenase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50456068
PNG
(CHEMBL4208344)
Show SMILES C[C@H](Nc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H16F2N4O2/c1-13(27-18-4-2-3-17(24)21(18)25)22(30)28-16-9-10-20-19(11-16)29-23(31-20)15-7-5-14(12-26)6-8-15/h2-11,13,27H,1H3,(H,28,30)/t13-/m0/s1
UniProtKB/SwissProt

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UniChem
Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50456082
PNG
(CHEMBL4211507)
Show SMILES CCOC(=O)COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r|
Show InChI InChI=1S/C26H22Cl2N2O6/c1-3-33-23(31)14-34-18-10-7-16(8-11-18)26-30-20-13-17(9-12-21(20)36-26)29-25(32)15(2)35-22-6-4-5-19(27)24(22)28/h4-13,15H,3,14H2,1-2H3,(H,29,32)/t15-/m0/s1
UniProtKB/SwissProt

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UniChem
Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50456083
PNG
(CHEMBL4213733)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H16Cl2N2O5/c1-12(31-19-4-2-3-16(24)20(19)25)21(28)26-15-9-10-18-17(11-15)27-22(32-18)13-5-7-14(8-6-13)23(29)30/h2-12H,1H3,(H,26,28)(H,29,30)/t12-/m0/s1
UniProtKB/SwissProt

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UniChem
Article
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>1.50E+4n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50432798
PNG
(CHEMBL2348814)
Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26)
UniProtKB/SwissProt

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Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01839
BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair