BindingDB logo
myBDB logout

10 similar compounds to monomer 50432768

Compile data set for download or QSAR
Wt: 363.7
BDBM40520
Purchase
Wt: 329.3
BDBM40528
Purchase
Wt: 418.4
BDBM37090
Purchase
Wt: 329.3
BDBM39197
Purchase
Wt: 295.3
BDBM39216
Purchase
Wt: 295.3
BDBM39262
Purchase
Wt: 294.3
BDBM48174
Purchase
Wt: 412.2
BDBM50432766
Wt: 343.3
BDBM50432767
Wt: 357.4
BDBM50432769

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 40520,40528,37090,39197,39216,39262,48174,50432766,50432767,50432769   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37090
PNG
(2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-1,3...)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2o1
Show InChI InChI=1S/C24H22N2O5/c1-28-18-8-5-16(6-9-18)24-26-19-14-17(7-11-20(19)31-24)25-23(27)13-15-4-10-21(29-2)22(12-15)30-3/h4-12,14H,13H2,1-3H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.09E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Inosine-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432769
PNG
(CHEMBL2348632)
Show SMILES CC(Cc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C22H19N3O2/c1-15(13-16-5-3-2-4-6-16)21(26)24-18-7-8-20-19(14-18)25-22(27-20)17-9-11-23-12-10-17/h2-12,14-15H,13H2,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37090
PNG
(2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-1,3...)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2o1
Show InChI InChI=1S/C24H22N2O5/c1-28-18-8-5-16(6-9-18)24-26-19-14-17(7-11-20(19)31-24)25-23(27)13-15-4-10-21(29-2)22(12-15)30-3/h4-12,14H,13H2,1-3H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 8.03E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM39197
PNG
(2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-aceta...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C20H15N3O2/c24-19(12-14-4-2-1-3-5-14)22-16-6-7-18-17(13-16)23-20(25-18)15-8-10-21-11-9-15/h1-11,13H,12H2,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM39216
PNG
(3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)but...)
Show SMILES CC(C)CC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C17H17N3O2/c1-11(2)9-16(21)19-13-3-4-15-14(10-13)20-17(22-15)12-5-7-18-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM39262
PNG
(MLS000062730 | N-(2-pyridin-4-yl-1,3-benzoxazol-5-...)
Show SMILES CCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C17H17N3O2/c1-2-3-4-16(21)19-13-5-6-15-14(11-13)20-17(22-15)12-7-9-18-10-8-12/h5-11H,2-4H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40520
PNG
(2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazo...)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.00E+7n/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40528
PNG
(2-phenyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)ace...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1cccnc1
Show InChI InChI=1S/C20H15N3O2/c24-19(11-14-5-2-1-3-6-14)22-16-8-9-18-17(12-16)23-20(25-18)15-7-4-10-21-13-15/h1-10,12-13H,11H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.12E+4n/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM39262
PNG
(MLS000062730 | N-(2-pyridin-4-yl-1,3-benzoxazol-5-...)
Show SMILES CCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C17H17N3O2/c1-2-3-4-16(21)19-13-5-6-15-14(11-13)20-17(22-15)12-7-9-18-10-8-12/h5-11H,2-4H2,1H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM48174
PNG
(2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl...)
Show SMILES CC(C)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-8-9-16-15(10-14)20-18(22-16)13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,19,21)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.62E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM39197
PNG
(2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-aceta...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C20H15N3O2/c24-19(12-14-4-2-1-3-5-14)22-16-6-7-18-17(13-16)23-20(25-18)15-8-10-21-11-9-15/h1-11,13H,12H2,(H,22,24)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM40520
PNG
(2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazo...)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM39197
PNG
(2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-aceta...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C20H15N3O2/c24-19(12-14-4-2-1-3-5-14)22-16-6-7-18-17(13-16)23-20(25-18)15-8-10-21-11-9-15/h1-11,13H,12H2,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM40520
PNG
(2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazo...)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50432766
PNG
(CHEMBL2348636)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H15Cl2N3O2/c1-12(15-3-2-4-16(22)19(15)23)20(27)25-14-5-6-18-17(11-14)26-21(28-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM50432767
PNG
(CHEMBL2348635)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM50432767
PNG
(CHEMBL2348635)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM50432769
PNG
(CHEMBL2348632)
Show SMILES CC(Cc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C22H19N3O2/c1-15(13-16-5-3-2-4-6-16)21(26)24-18-7-8-20-19(14-18)25-22(27-20)17-9-11-23-12-10-17/h2-12,14-15H,13H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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-5-monophosphate dehydrogenase (IMPDH)


(Cryptosporidium parvum)
BDBM50432766
PNG
(CHEMBL2348636)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H15Cl2N3O2/c1-12(15-3-2-4-16(22)19(15)23)20(27)25-14-5-6-18-17(11-14)26-21(28-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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)
BDBM50432767
PNG
(CHEMBL2348635)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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)
BDBM50432767
PNG
(CHEMBL2348635)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/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)
BDBM50432766
PNG
(CHEMBL2348636)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H15Cl2N3O2/c1-12(15-3-2-4-16(22)19(15)23)20(27)25-14-5-6-18-17(11-14)26-21(28-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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)
BDBM50432767
PNG
(CHEMBL2348635)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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)
BDBM50432767
PNG
(CHEMBL2348635)
Show SMILES C[C@@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37090
PNG
(2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-1,3...)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2o1
Show InChI InChI=1S/C24H22N2O5/c1-28-18-8-5-16(6-9-18)24-26-19-14-17(7-11-20(19)31-24)25-23(27)13-15-4-10-21(29-2)22(12-15)30-3/h4-12,14H,13H2,1-3H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair