BindingDB logo
myBDB logout

15 similar compounds to monomer 50432791

Compile data set for download or QSAR
Wt: 428.2
BDBM40523
Purchase
Wt: 375.3
BDBM59315
Purchase
Wt: 407.8
BDBM71804
Purchase
Wt: 419.4
BDBM50432787
Wt: 428.2
BDBM50432790
Wt: 409.4
BDBM50432792
Wt: 437.4
BDBM50432793
Wt: 414.2
BDBM50432794
Purchase
Wt: 443.8
BDBM50432795
Wt: 428.2
BDBM50432796
Wt: 393.8
BDBM50432797
Wt: 389.4
BDBM50432798
Wt: 359.3
BDBM50432799
Wt: 393.8
BDBM50432800
Wt: 393.8
BDBM50432801

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 40523,59315,71804,50432787,50432790,50432792,50432793,50432794,50432795,50432796,50432797,50432798,50432799,50432800,50432801   
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
GMP reductase 2


(Homo sapiens)
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)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
GMP reductase 2


(Homo sapiens)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method


J Med Chem 61: 4739-4756 (2018)


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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q29889M0
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432787
PNG
(CHEMBL2348799)
Show SMILES COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c1OC
Show InChI InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432792
PNG
(CHEMBL2348822)
Show SMILES C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432793
PNG
(CHEMBL2348821)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM71804
PNG
(2-(4-chloranylphenoxy)-2-methyl-N-(2-pyridin-4-yl-...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432794
PNG
(CHEMBL2348820)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C20H13Cl2N3O3/c21-13-1-3-17(15(22)9-13)27-11-19(26)24-14-2-4-18-16(10-14)25-20(28-18)12-5-7-23-8-6-12/h1-10H,11H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432795
PNG
(CHEMBL2348819)
Show SMILES CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432796
PNG
(CHEMBL2348817)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-19-15(22)3-2-4-16(19)23)20(27)25-14-5-6-18-17(11-14)26-21(29-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432797
PNG
(CHEMBL2348815)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-4-2-3-15(22)11-17)20(26)24-16-5-6-19-18(12-16)25-21(28-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432799
PNG
(CHEMBL2348813)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432800
PNG
(CHEMBL2348812)
Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-5-2-15(22)3-6-17)20(26)24-16-4-7-19-18(12-16)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432801
PNG
(CHEMBL2348811)
Show SMILES CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM40523
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432787
PNG
(CHEMBL2348799)
Show SMILES COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c1OC
Show InChI InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432792
PNG
(CHEMBL2348822)
Show SMILES C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432793
PNG
(CHEMBL2348821)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432795
PNG
(CHEMBL2348819)
Show SMILES CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432797
PNG
(CHEMBL2348815)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-4-2-3-15(22)11-17)20(26)24-16-5-6-19-18(12-16)25-21(28-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432799
PNG
(CHEMBL2348813)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432800
PNG
(CHEMBL2348812)
Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-5-2-15(22)3-6-17)20(26)24-16-4-7-19-18(12-16)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432801
PNG
(CHEMBL2348811)
Show SMILES CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM40523
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432787
PNG
(CHEMBL2348799)
Show SMILES COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c1OC
Show InChI InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432792
PNG
(CHEMBL2348822)
Show SMILES C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432793
PNG
(CHEMBL2348821)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM71804
PNG
(2-(4-chloranylphenoxy)-2-methyl-N-(2-pyridin-4-yl-...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432794
PNG
(CHEMBL2348820)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C20H13Cl2N3O3/c21-13-1-3-17(15(22)9-13)27-11-19(26)24-14-2-4-18-16(10-14)25-20(28-18)12-5-7-23-8-6-12/h1-10H,11H2,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432795
PNG
(CHEMBL2348819)
Show SMILES CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432796
PNG
(CHEMBL2348817)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-19-15(22)3-2-4-16(19)23)20(27)25-14-5-6-18-17(11-14)26-21(29-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432797
PNG
(CHEMBL2348815)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-4-2-3-15(22)11-17)20(26)24-16-5-6-19-18(12-16)25-21(28-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432799
PNG
(CHEMBL2348813)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432800
PNG
(CHEMBL2348812)
Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-5-2-15(22)3-6-17)20(26)24-16-4-7-19-18(12-16)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432801
PNG
(CHEMBL2348811)
Show SMILES CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM40523
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase, probable


(Cryptosporidium parvum)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


ACS Med Chem Lett 5: 846-50 (2014)


Article DOI: 10.1021/ml500203p
BindingDB Entry DOI: 10.7270/Q23J3FN3
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71804
PNG
(2-(4-chloranylphenoxy)-2-methyl-N-(2-pyridin-4-yl-...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>